SCHEMBL8027259

SCHEMBL8027259

C=CCOc1ccncn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 3/20 0.38
HSP90AA1 P07900 1/20 0.35
SNCA P37840 1/20 0.35
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA9 Q16790 4/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
P2RX7 Q99572 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31

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
SCHEMBL5044076 0.80 HSP90AA1 (0.35) HSP90AA1P2RX7
SCHEMBL16399201 0.77
SCHEMBL3260151 0.73 CHRNB2 (0.44) KDM4EALDH1A1MAPTMAPK1MEN1
SCHEMBL7305076 0.73 CYP19A1 (0.43) KDM4EALDH1A1MAPTSNCAMAPK1
SCHEMBL5883850 0.72
SCHEMBL27858236 0.72
SCHEMBL27916645 0.72
SCHEMBL1416291 0.72
SCHEMBL13764327 0.72 CA12 (0.48) KDM4EALDH1A1MAPTSNCACA12
SCHEMBL27928341 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742153-A1 PROTEIN AND PEPTIDE LIBRARIES The General Hospital Corporation (US) 2014-06-18 EP claimed
WO-2013019794-A1 PROTEIN AND PEPTIDE LIBRARIES THE GENERAL HOSPITAL CORPORATION (US) 2013-02-07 WO claimed
EP-0974586-A1 2-amino-4-alkylamino-pyrimidine 3-oxydes and compositions containing same L'OREAL (FR) 2000-01-26 EP claimed
US-5929046-A Pyrimidine and purine derivatives and their use in treating tumour cells CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-07-27 US claimed
EP-2742153-B1 PROTEIN AND PEPTIDE LIBRARIES MASSACHUSETTS GEN HOSPITAL (US) 2018-09-05 EP disclosed
US-20170198282-A1 PROTEIN AND PEPTIDE LIBRARIES THE GENERAL HOSPITAL CORPORATION (US) 2017-07-13 US disclosed
CN-106496104-A The synthetic method of 6 methylpyrimidine of medical intermediate 4 (allyloxy) 2 chlorine 无锡乾浩生物医药有限公司 2017-03-15 CN disclosed
US-9422550-B2 Protein and peptide libraries THE GENERAL HOSPITAL CORPORATION (US) 2016-08-23 US disclosed
US-20140234898-A1 PROTEIN AND PEPTIDE LIBRARIES THE GENERAL HOSPITAL CORPORATION (US) 2014-08-21 US disclosed
EP-2742153-A1 PROTEIN AND PEPTIDE LIBRARIES The General Hospital Corporation (US) 2014-06-18 EP disclosed
WO-2013019794-A1 PROTEIN AND PEPTIDE LIBRARIES THE GENERAL HOSPITAL CORPORATION (US) 2013-02-07 WO disclosed
EP-0974586-A1 2-amino-4-alkylamino-pyrimidine 3-oxydes and compositions containing same L'OREAL (FR) 2000-01-26 EP disclosed
US-5929046-A Pyrimidine and purine derivatives and their use in treating tumour cells CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-07-27 US disclosed