SCHEMBL14520253

SCHEMBL14520253

CCCNc1cc(Cl)cc(Nc2ccnc3[nH]c(C4=CCN(C(=O)OC(C)(C)C)CC4)cc23)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 19/20 0.57
▸ CCNT1 O60563 18/20 0.57
▸ 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
SCHEMBL14500418 0.86 CDK9 (0.60) CDK9CCNT1TBK1
SCHEMBL14520938 0.85 CDK9 (0.60) CDK9CCNT1TBK1
SCHEMBL14500408 0.85 CDK9 (0.55) CDK9CCNT1TBK1
SCHEMBL14500404 0.82 CDK9 (0.52) CDK9CCNT1TBK1
SCHEMBL14520456 0.82 CCNT1 (0.54) CDK9CCNT1TBK1
SCHEMBL5662450 0.81 CCNT1 (0.55) CDK9CCNT1TBK1
SCHEMBL14500413 0.81 CCNT1 (0.57) CDK9CCNT1TBK1
SCHEMBL14500292 0.81 CCNT1 (0.57) CDK9CCNT1TBK1
SCHEMBL14500365 0.81 CCNT1 (0.60) CDK9CCNT1TBK1
SCHEMBL14500378 0.80 CDK9 (0.59) CDK9CCNT1TBK1

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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