SCHEMBL14520456

SCHEMBL14520456

CCCC(CCC)c1cccc(Nc2ccnc3[nH]c(C4=CCN(C(=O)OC(C)(C)C)CC4)cc23)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 19/20 0.54
▸ CDK9 P50750 19/20 0.54
▸ TBK1 Q9UHD2 1/20 0.46

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
SCHEMBL14500380 0.85 CCNT1 (0.58) CCNT1CDK9TBK1
SCHEMBL14500344 0.85 CCNT1 (0.58) CCNT1CDK9TBK1
SCHEMBL14500239 0.84 CCNT1 (0.57) CCNT1CDK9TBK1
SCHEMBL14500309 0.84 CCNT1 (0.59) CCNT1CDK9TBK1
SCHEMBL14500244 0.84 CCNT1 (0.57) CCNT1CDK9TBK1
SCHEMBL14500273 0.83 CCNT1 (0.56) CCNT1CDK9TBK1
SCHEMBL14500391 0.83 CDK9 (0.56) CCNT1CDK9TBK1
SCHEMBL14500282 0.82 CCNT1 (0.55) CCNT1CDK9TBK1
SCHEMBL14500390 0.82 CDK9 (0.55) CCNT1CDK9TBK1
SCHEMBL14500381 0.82 CCNT1 (0.55) CCNT1CDK9TBK1

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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