SCHEMBL13994061

SCHEMBL13994061

CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4ccccc4)ncnc3[nH]2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 7/20 0.55
▸ CDK9 P50750 7/20 0.55
▸ KIT P10721 2/20 0.54
▸ MKNK1 Q9BUB5 4/20 0.47
▸ TBK1 Q9UHD2 1/20 0.47
▸ GRM5 P41594 2/20 0.47
▸ GRM1 Q13255 2/20 0.47
▸ NAMPT P43490 1/20 0.46
▸ PDK4 Q16654 1/20 0.44
▸ HTR6 P50406 1/20 0.43

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
SCHEMBL5010250 0.94 KIT (0.53) CCNT1CDK9KITMKNK1TBK1
SCHEMBL13994128 0.92 CCNT1 (0.51) CCNT1CDK9KITMKNK1TBK1
SCHEMBL5008291 0.91 CCNT1 (0.51) CCNT1CDK9KITMKNK1TBK1
SCHEMBL5008380 0.91 CCNT1 (0.53) CCNT1CDK9KITMKNK1TBK1
SCHEMBL13994074 0.90 CCNT1 (0.51) CCNT1CDK9KITMKNK1TBK1
SCHEMBL13994143 0.89 CCNT1 (0.49) CCNT1CDK9KITMKNK1TBK1
SCHEMBL13994066 0.89 CCNT1 (0.49) CCNT1CDK9KITMKNK1TBK1
SCHEMBL13994108 0.89 CCNT1 (0.51) CCNT1CDK9KITMKNK1TBK1
SCHEMBL5005409 0.88 CCNT1 (0.48) CCNT1CDK9KITMKNK1TBK1
SCHEMBL13994075 0.88 CCNT1 (0.49) CCNT1CDK9KITMKNK1TBK1

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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