SCHEMBL16113196

SCHEMBL16113196

COc1ccc(F)cc1-c1ncnc2[nH]c(C3=CCN(S(=O)(=O)NC(=O)O)CC3)cc12

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 20/20 0.69
▸ CDK9 P50750 20/20 0.69

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
SCHEMBL16048679 0.89 CCNT1 (0.77) CCNT1CDK9
SCHEMBL16039958 0.88 CCNT1 (0.88) CCNT1CDK9
SCHEMBL16052141 0.88 CDK9 (0.85) CCNT1CDK9
SCHEMBL16051391 0.88 CDK9 (0.85) CCNT1CDK9
SCHEMBL16049170 0.86 CCNT1 (0.78) CCNT1CDK9
SCHEMBL16048469 0.86 CCNT1 (0.78) CCNT1CDK9
SCHEMBL16048657 0.86 CCNT1 (0.66) CCNT1CDK9
SCHEMBL16048738 0.86 CDK9 (0.80) CCNT1CDK9
SCHEMBL16051230 0.84 CCNT1 (0.86) CCNT1CDK9
SCHEMBL16048472 0.84 CCNT1 (0.77) CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346813-B2 Substituted pyrrolo[2,3-d]pyrimindines as CDK9 kinase inhibitors ABBVIE INC. (US) 2016-05-24 — — US claimed
EP-2970299-A1 PYRROLOPYRIMINDINE CDK9 KINASE INHIBITORS Abbvie Inc. (US) 2016-01-20 — — EP claimed
WO-2014160028-A1 PYRROLOPYRIMINDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-10-02 — — WO claimed
US-9346813-B2 Substituted pyrrolo[2,3-d]pyrimindines as CDK9 kinase inhibitors ABBVIE INC. (US) 2016-05-24 — — US disclosed
EP-2970299-A1 PYRROLOPYRIMINDINE CDK9 KINASE INHIBITORS Abbvie Inc. (US) 2016-01-20 — — EP disclosed
WO-2014160028-A1 PYRROLOPYRIMINDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-10-02 — — WO disclosed
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