SCHEMBL14949682

SCHEMBL14949682

Nc1ccc(Oc2ccc(NC(=O)O)c(F)c2)cn1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 19/20 0.58
CDK7 P50613 1/20 0.46
CDK6 Q00534 1/20 0.46
MAPK14 Q16539 1/20 0.45

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
SCHEMBL4284200 0.90 CDK8 (0.58) CDK8CDK7CDK6
SCHEMBL3561767 0.84 MAPK14 (0.61) MAPK14
SCHEMBL3636740 0.83 CDK8 (0.56) CDK8CDK7CDK6
SCHEMBL12892598 0.82 CDK8 (0.54) CDK8
SCHEMBL4684136 0.82 PARP10 (0.44) MAPK14
SCHEMBL3637169 0.82 CDK8 (0.58) CDK8CDK7CDK6
SCHEMBL14949687 0.80 CDK8 (0.40) CDK8MAPK14
SCHEMBL14949690 0.80 CDK8 (0.40) CDK8MAPK14
SCHEMBL14949675 0.77 CDK8 (0.64) CDK8CDK7CDK6
SCHEMBL16037546 0.77 CDK8 (0.52) CDK8CDK7CDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed