SCHEMBL7448126

SCHEMBL7448126

CC(=O)OCCOCn1cnc2c(Cl)ncnc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TSHR P16473 1/20 0.53
P2RX7 Q99572 2/20 0.51
FDPS P14324 1/20 0.47
FGFR1 P11362 8/20 0.47
FGFR4 P22455 8/20 0.47
HDAC6 Q9UBN7 2/20 0.46
ENPP1 P22413 2/20 0.45
NT5E P21589 1/20 0.44
MAPK1 P28482 1/20 0.41
HBB P68871 1/20 0.41
ABCB11 O95342 1/20 0.39
POLA1 P09884 1/20 0.39
POLG P54098 1/20 0.39
FAP Q12884 1/20 0.39
SLC22A6 Q4U2R8 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
SCHEMBL9426305 0.86 MEN1 (0.54) MEN1KMT2ATSHRP2RX7FGFR1
SCHEMBL9426463 0.85 ENPP1 (0.61) MEN1KMT2ATSHRFGFR1ENPP1
SCHEMBL10582443 0.85 TSHR (0.53) MEN1KMT2ATSHRP2RX7FGFR1
SCHEMBL11244724 0.84 MEN1 (0.57) MEN1KMT2ATSHRP2RX7HDAC6
SCHEMBL9366819 0.83 MEN1 (0.56) MEN1KMT2ATSHRHDAC6MAPK1
SCHEMBL9828030 0.82 P2RX7 (0.52) P2RX7FDPSFGFR1FGFR4HDAC6
SCHEMBL11252899 0.81 FDPS (0.49) MEN1KMT2ATSHRP2RX7FDPS
SCHEMBL10563489 0.81 FDPS (0.50) TSHRP2RX7FDPSFGFR1FGFR4
SCHEMBL9366802 0.79 MEN1 (0.63) MEN1KMT2ATSHRP2RX7HDAC6
SCHEMBL357273 0.79 FDPS (0.45) P2RX7FDPSFGFR1FGFR4HDAC6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5565566-A N6-(ENDO(1R,2S,4S)-2-NORBORNYL)-9-METHYLADENINE OR N6-(ENDO(1S,2R,4R)-2-NORBORNYL)-9-METHYLADENINE DISCOVERY THERAPEUTICS, INC. (US) 1996-10-15 US disclosed
US-5256398-A Mixture of adenosine, or an adenosine antagonist, with an adenosine receptor WHITBY RESEARCH, INC. (US) 1993-10-26 US disclosed
EP-0457773-A4 N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS 1993-03-10 EP disclosed
US-5117830-A Dilating the vascular system with adenosine; labeling; supplying a adenosine recetor antagonist WHITBY RESEARCH, INC. (US) 1992-06-02 US disclosed
EP-0457773-A1 N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS WHITBY RESEARCH, Inc. (US) 1991-11-27 EP disclosed
WO-1990009178-A1 N6-SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS WHITBY RESEARCH, INC. (US) 1990-08-23 WO disclosed
EP-0306845-A2 Medicinal preparation containing certain derivatives of 6-mercaptopurine, use of these derivatives of 6-mercaptopurine, process for the preparation of the medicinal preparation and some derivatives of 6-mercaptopurine and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-15 EP disclosed