SCHEMBL13994248

SCHEMBL13994248

CC(C)(C)NC(=O)N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)c(C#N)cnc3[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 19/20 0.46
▸ CDK9 P50750 19/20 0.46
▸ TBK1 Q9UHD2 1/20 0.38

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
SCHEMBL5005617 0.90 TBK1 (0.48) CCNT1CDK9TBK1
SCHEMBL14500613 0.89 CCNT1 (0.39) CCNT1CDK9
SCHEMBL5661845 0.84 CCNT1 (0.45) CCNT1CDK9
SCHEMBL5008119 0.84 CCNT1 (0.40) CCNT1CDK9
SCHEMBL13994257 0.84 CCNT1 (0.47) CCNT1CDK9TBK1
SCHEMBL14530348 0.79 CCNT1 (0.39) CCNT1CDK9
SCHEMBL5005791 0.79 CDK9 (0.47) CCNT1CDK9TBK1
SCHEMBL13994533 0.78 RIPK2 (0.42) CCNT1CDK9
SCHEMBL14500615 0.77 CCNT1 (0.46) CCNT1CDK9
SCHEMBL14500327 0.76 CCNT1 (0.46) 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
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
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