SCHEMBL16051969

SCHEMBL16051969

COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(S(=O)(=O)C4CCN(C(=O)O)CC4)CC3)cc12

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 20/20 0.85
▸ CCNT1 O60563 19/20 0.85

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
SCHEMBL16050728 0.92 CCNT1 (1.00) CDK9CCNT1
SCHEMBL17534957 0.91 CDK9 (1.00) CDK9CCNT1
SCHEMBL16050541 0.90 CCNT1 (1.00) CDK9CCNT1
SCHEMBL16050698 0.89 CCNT1 (1.00) CDK9CCNT1
SCHEMBL17535162 0.89 CCNT1 (1.00) CDK9CCNT1
SCHEMBL17535166 0.88 CCNT1 (0.88) CDK9CCNT1
SCHEMBL16052868 0.87 CCNT1 (1.00) CDK9CCNT1
SCHEMBL16051092 0.86 CCNT1 (1.00) CDK9CCNT1
SCHEMBL17535160 0.86 CCNT1 (0.85) CDK9CCNT1
SCHEMBL17535028 0.86 CDK9 (0.88) CDK9CCNT1

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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