SCHEMBL16050562

SCHEMBL16050562

COc1ccc(F)cc1-c1ccnc2[nH]c(C3CC[CH]CC3)cc12

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 20/20 0.82
▸ CDK9 P50750 20/20 0.82

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
SCHEMBL16039724 0.90 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16042808 0.89 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16041117 0.88 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16041116 0.88 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16042172 0.88 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16042934 0.87 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16052761 0.87 CCNT1 (0.83) CCNT1CDK9
SCHEMBL16042576 0.85 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16040847 0.85 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16042468 0.85 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 4 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 claimed
WO-2014139328-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 — — WO claimed
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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