SCHEMBL16050811

SCHEMBL16050811

COc1ccc(F)cc1-c1ccnc2[nH]c(C3CN(C(C)(C)C)C3)cc12

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 20/20 0.80
▸ CDK9 P50750 20/20 0.80

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
SCHEMBL16041365 0.89 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16051038 0.85 CCNT1 (0.75) CCNT1CDK9
SCHEMBL16041128 0.84 CDK9 (1.00) CCNT1CDK9
SCHEMBL16040773 0.84 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16040505 0.84 CDK9 (1.00) CCNT1CDK9
SCHEMBL16041320 0.84 CDK9 (1.00) CCNT1CDK9
SCHEMBL16042934 0.84 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16040890 0.84 CCNT1 (0.82) CCNT1CDK9
SCHEMBL16039724 0.83 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16040777 0.83 CCNT1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970278-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 — — EP disclosed
WO-2014139328-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 — — WO disclosed
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