SCHEMBL16051982

SCHEMBL16051982

COc1cc(F)c(F)cc1-c1ccnc2[nH]c(C3=CCCCC3)cc12

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 20/20 0.73
▸ CDK9 P50750 20/20 0.73

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
SCHEMBL16050717 0.89 CCNT1 (0.79) CCNT1CDK9
SCHEMBL16051838 0.85 CCNT1 (0.80) CCNT1CDK9
SCHEMBL16041362 0.84 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16051769 0.83 CCNT1 (0.81) CCNT1CDK9
SCHEMBL16050920 0.82 CCNT1 (0.76) CCNT1CDK9
SCHEMBL2087223 0.80 CCNT1 (0.53) CCNT1CDK9
SCHEMBL16052359 0.79 CDK9 (1.00) CCNT1CDK9
SCHEMBL16051379 0.79 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16041400 0.78 CCNT1 (1.00) CCNT1CDK9
SCHEMBL17535072 0.78 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
Send feedback