SCHEMBL16095268

SCHEMBL16095268

Cc1nc(-c2cc(C#N)ccn2)c(-c2ccc(F)cc2OCc2ccccc2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 2/20 0.45
▸ CDK2 P24941 6/20 0.41
▸ CDK9 P50750 6/20 0.41
▸ CCNT1 O60563 4/20 0.41
▸ CCNA2 P20248 3/20 0.41
▸ CCNA1 P78396 3/20 0.41
▸ MAPK14 Q16539 5/20 0.41
▸ BRD4 O60885 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PPIA P62937 1/20 0.37
▸ GRIN1 Q05586 2/20 0.37
▸ GRIN2B Q13224 2/20 0.37
▸ CCNE1 P24864 1/20 0.36
▸ TDP2 O95551 1/20 0.36

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
SCHEMBL16102461 0.85 KDM4C (0.42) KDM4CMAPK14GRIN1GRIN2B
SCHEMBL16094945 0.84 KDM4C (0.51) KDM4CMAPK14
SCHEMBL16095137 0.80 KDM4C (0.69) KDM4CCDK2CDK9CCNT1CCNA2
SCHEMBL16095479 0.80 KDM4C (0.65) KDM4CMAPK14
SCHEMBL16034902 0.79 KDM4C (0.66) KDM4CCDK2CDK9CCNT1CCNA2
SCHEMBL17604614 0.76 MAPK14 (0.46) MAPK14
SCHEMBL16095270 0.73 KDM4C (0.44) KDM4CCDK2CDK9CCNT1CCNA2
SCHEMBL17604576 0.72 KDM4C (0.47) KDM4CMAPK14GRIN2B
SCHEMBL17604573 0.71 PKM (0.41) KDM4CMAPK14L3MBTL1
SCHEMBL16095596 0.71 KDM4C (0.65) KDM4CCDK9CCNT1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969007-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals Inc (US) 2016-01-20 — — EP disclosed
WO-2014151945-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-25 — — WO disclosed
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