SCHEMBL686920

SCHEMBL686920

Oc1cnc2c(ccc3cc(O)cnc32)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.52
CCR5 P51681 2/20 0.52
CCR8 P51685 2/20 0.52
MAP4K4 O95819 1/20 0.41
CDK8 P49336 1/20 0.41
CLK2 P49760 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
CDK5 Q00535 1/20 0.41
ACVR1 Q04771 1/20 0.41
ROCK1 Q13464 1/20 0.41
DYRK1A Q13627 1/20 0.41
LRRK2 Q5S007 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
KDM4E B2RXH2 6/20 0.41
HSD17B1 P14061 1/20 0.41
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
CYP1A2 P05177 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30570886 1.00 CCR1 (0.52) CCR1CCR5CCR8MAP4K4CDK8
Bromide SCHEMBL5550525 0.97 CCR1 (0.50) CCR1CCR5CCR8MAP4K4CDK8
SCHEMBL170057 0.85 CCR1 (0.62) CCR1CCR5CCR8KDM4EHSP90AA1
Phenanthroline SCHEMBL10380787 0.85 CCR1 (0.62) CCR1CCR5CCR8KDM4EHSP90AA1
SCHEMBL6892169 0.82 CCR1 (0.38) CCR1CCR5CCR8MAP4K4CDK8
SCHEMBL18573232 0.81 ALDH1A1 (0.44) KDM4EHSP90AA1HSP90AB1CYP1A2MEN1
SCHEMBL12483271 0.81 ABCG2 (0.40) CCR1CCR5CCR8MAP4K4CDK8
Jineol SCHEMBL29696064 0.80 KDM4E (0.67) KDM4EHSP90AA1HSP90AB1CYP1A2MEN1
Jineol SCHEMBL4213727 0.80 KDM4E (0.67) KDM4EHSP90AA1HSP90AB1CYP1A2MEN1
SCHEMBL25040940 0.80 CCR1 (0.35) CCR1CCR5CCR8MAP4K4CDK8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439794-A Spectroscopically or photoactively determination when bound to Dna THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1995-08-08 US claimed
US-5225556-A Phenanthroline derivatives THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1993-07-06 US claimed
US-5157032-A Spectroscopically or photoactively determinable THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1992-10-20 US claimed
US-5112974-A Targets tumor cells for radiation treatment, metal complexes with amines or imines THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1992-05-12 US claimed
US-4980473-A Cobalt or ruthenium complexes of 1,10-phenanthroline or derivatives THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1990-12-25 US claimed
US-4721669-A METAL 1,10-PHENANTHROLINE COMPLEXES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1988-01-26 US claimed
US-4699978-A LABELING OR NICKING DNA WITH PHENANTHROLINE COORDINATION COMPLEX THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1987-10-13 US claimed
EP-0211043-A1 CHEMICAL PROBES FOR LEFT-HANDED DNA AND CHIRAL METAL COMPLEXES AS Z-SPECIFIC ANTITUMOR AGENTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1987-02-25 EP claimed
EP-0210232-A1 SITE-SPECIFIC RUTHENIUM(II) AND COBALT(III) ANTITUMOR AGENTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1987-02-04 EP claimed
WO-1986004358-A1 SITE-SPECIFIC RUTHENIUM(II) AND COBALT(III) ANTITUMOR AGENTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF (US) 1986-07-31 WO claimed
WO-1986004244-A1 CHEMICAL PROBES FOR LEFT-HANDED DNA AND CHIRAL METAL COMPLEXES AS Z-SPECIFIC ANTITUMOR AGENTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF (US) 1986-07-31 WO claimed
CN-109557764-B Chemically amplified positive photosensitive resin composition, resist pattern, method for forming the same, and electronic device 奇美实业股份有限公司 2023-09-12 CN disclosed
CN-106933034-B Positive photoresist composition 东京应化工业株式会社 2023-01-06 CN disclosed
CN-104423170-B Photosensitive polysiloxane composition, protective film and assembly with protective film 奇美实业股份有限公司 2019-05-24 CN disclosed
CN-109557764-A Chemically amplified positive photosensitive resin composition, resist pattern and method for forming the same, and electronic device 奇美实业股份有限公司 2019-04-02 CN disclosed
US-4699978-A LABELING OR NICKING DNA WITH PHENANTHROLINE COORDINATION COMPLEX THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1987-10-13 US disclosed
EP-0211043-A1 CHEMICAL PROBES FOR LEFT-HANDED DNA AND CHIRAL METAL COMPLEXES AS Z-SPECIFIC ANTITUMOR AGENTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1987-02-25 EP disclosed
EP-0210232-A1 SITE-SPECIFIC RUTHENIUM(II) AND COBALT(III) ANTITUMOR AGENTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1987-02-04 EP disclosed
WO-1986004358-A1 SITE-SPECIFIC RUTHENIUM(II) AND COBALT(III) ANTITUMOR AGENTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF (US) 1986-07-31 WO disclosed
WO-1986004244-A1 CHEMICAL PROBES FOR LEFT-HANDED DNA AND CHIRAL METAL COMPLEXES AS Z-SPECIFIC ANTITUMOR AGENTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF (US) 1986-07-31 WO disclosed