SCHEMBL13994085

SCHEMBL13994085

CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4ccc5oncc5c4)ncnc3[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 5/20 0.49
▸ CDK9 P50750 5/20 0.49
▸ TBK1 Q9UHD2 1/20 0.44
▸ KIT P10721 3/20 0.42
▸ MKNK1 Q9BUB5 4/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ RET P07949 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ EPHA2 P29317 1/20 0.39

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
SCHEMBL14500293 0.89 CDK9 (0.55) CCNT1CDK9TBK1
SCHEMBL5005160 0.86 CDK9 (0.49) CCNT1CDK9TBK1KITMKNK1
SCHEMBL13994113 0.86 CCNT1 (0.48) CCNT1CDK9TBK1KITMKNK1
SCHEMBL5008411 0.86 CDK9 (0.48) CCNT1CDK9TBK1KITMKNK1
SCHEMBL5001675 0.85 CCNT1 (0.49) CCNT1CDK9TBK1KITMKNK1
SCHEMBL13994099 0.85 CCNT1 (0.49) CCNT1CDK9TBK1KITMKNK1
SCHEMBL13994070 0.85 CCNT1 (0.51) CCNT1CDK9TBK1KITMKNK1
SCHEMBL13994063 0.85 CDK9 (0.49) CCNT1CDK9TBK1KITMKNK1
SCHEMBL13994061 0.85 CCNT1 (0.55) CCNT1CDK9TBK1KITMKNK1
SCHEMBL13994065 0.84 CCNT1 (0.51) CCNT1CDK9TBK1KITMKNK1

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 1 patent. 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
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