SCHEMBL16050996

SCHEMBL16050996

COc1ccc(Cl)cc1-c1ccnc2[nH]c(C3CCN(C(C)(C)C)CC3)cc12

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 20/20 0.74
▸ CDK9 P50750 20/20 0.74

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
SCHEMBL16052231 0.92 CDK9 (0.74) CCNT1CDK9
SCHEMBL16052771 0.89 CCNT1 (0.80) CCNT1CDK9
SCHEMBL16050566 0.86 CCNT1 (0.80) CCNT1CDK9
SCHEMBL16051700 0.85 CDK9 (0.73) CCNT1CDK9
SCHEMBL16042005 0.85 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16041083 0.85 CDK9 (0.70) CCNT1CDK9
SCHEMBL16052262 0.82 CDK9 (0.74) CCNT1CDK9
SCHEMBL16051201 0.82 CDK9 (0.73) CCNT1CDK9
SCHEMBL16050811 0.80 CCNT1 (0.80) CCNT1CDK9
SCHEMBL16051038 0.78 CCNT1 (0.75) 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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