SCHEMBL3676712

SCHEMBL3676712

CCOC(=O)Oc1cc2c(=O)[nH]c(-c3ccc(Cl)cc3Cl)cn2n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ADORA3 P0DMS8 2/20 0.39
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 3/20 0.37
MAPK1 P28482 1/20 0.37
CNR1 P21554 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3686748 0.86 KDM4E (0.44) KDM4ETNKSPARP1TNKS2MAPT
SCHEMBL1513997 0.84 KDM4E (0.46) KDM4EADORA3TSHRMAPTNPC1
SCHEMBL3674841 0.80 MAPT (0.44) KDM4ETSHRMAPTCNR1NPC1
SCHEMBL12762527 0.79 KDM4E (0.48) KDM4ETNKSPARP1TNKS2MAPT
SCHEMBL3687396 0.79 KDM4E (0.55) KDM4ETNKSPARP1TNKS2MAPT
SCHEMBL1513942 0.77 KDM4E (0.47) KDM4ETNKSPARP1TNKS2MAPT
SCHEMBL12835585 0.76 ADORA3 (0.44) KDM4EADORA3TNKSPARP1TNKS2
SCHEMBL1514005 0.75 KDM4E (0.46) KDM4ETNKSPARP1TNKS2MAPT
SCHEMBL1514119 0.72 KDM4E (0.47) KDM4ETNKSPARP1TNKS2MAPT
SCHEMBL1110696 0.69 ALDH1A1 (0.46) KDM4ETSHRMAPTMAPK1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176264-B1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES FOR TREATING HEMATOLOGICAL DISORDERS BAYER IP GMBH (DE) 2012-12-19 EP disclosed
EP-2176264-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE Bayer Schering Pharma AG (DE) 2010-04-21 EP disclosed
WO-2009007029-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed