SCHEMBL14520457

SCHEMBL14520457

CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4cccc(-c5nnc[nH]5)c4)ccnc3[nH]2)CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 18/20 0.54
▸ CDK9 P50750 18/20 0.54
▸ TBK1 Q9UHD2 1/20 0.47
▸ KIT P10721 1/20 0.41

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
SCHEMBL14500435 0.90 CCNT1 (0.55) CCNT1CDK9TBK1KIT
SCHEMBL14500380 0.89 CCNT1 (0.58) CCNT1CDK9TBK1KIT
SCHEMBL14500280 0.89 CDK9 (0.54) CCNT1CDK9TBK1KIT
SCHEMBL14500271 0.88 CCNT1 (0.55) CCNT1CDK9TBK1KIT
SCHEMBL14500381 0.88 CCNT1 (0.55) CCNT1CDK9TBK1KIT
SCHEMBL14500273 0.87 CCNT1 (0.56) CCNT1CDK9TBK1KIT
SCHEMBL14500394 0.86 CDK9 (0.53) CCNT1CDK9TBK1KIT
SCHEMBL14500236 0.86 CDK9 (0.54) CCNT1CDK9TBK1KIT
SCHEMBL14500282 0.86 CCNT1 (0.55) CCNT1CDK9TBK1KIT
SCHEMBL14500397 0.86 CCNT1 (0.54) CCNT1CDK9TBK1KIT

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
WO-2007067537-A1 PYRROLOPYRIDINE KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2007-06-14 — — WO disclosed
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