SCHEMBL14732090

SCHEMBL14732090

C[C@@H]1CN(c2ccc(Nc3ncc4c(n3)C3(C=CC(C)(C)CC3)c3cnccc3-4)cn2)C[C@H](C)N1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 14/20 0.39
▸ ACVR1 Q04771 2/20 0.37
▸ CCND1 P24385 5/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ CDK6 Q00534 2/20 0.34
▸ TNK2 Q07912 1/20 0.34
▸ ZAP70 P43403 3/20 0.33
▸ CDK2 P24941 3/20 0.32
▸ CCND2 P30279 1/20 0.32
▸ CCND3 P30281 1/20 0.32
▸ CCNA2 P20248 1/20 0.32

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
SCHEMBL12727726 0.87 CDK4 (0.39) CDK4ACVR1CCND1CDK1CCNB1
SCHEMBL12162446 0.86 JAK3 (0.40) CDK4CCND1CDK1CCNB1FLT3
SCHEMBL1115176 0.86 JAK3 (0.40) CDK4CCND1CDK1CCNB1FLT3
SCHEMBL12727791 0.85 CDK4 (0.50) CDK4CCND1CDK1CCNB1CDK6
SCHEMBL12727723 0.84 CDK4 (0.53) CDK4CCND1CDK1CCNB1FLT3
SCHEMBL1115163 0.84 CDK4 (0.53) CDK4CCND1CDK1CCNB1FLT3
SCHEMBL12727722 0.78 CDK2 (0.45) CDK4ACVR1CCND1CDK1CCNB1
SCHEMBL1115502 0.78 CDK2 (0.45) CDK4ACVR1CCND1CDK1CCNB1
SCHEMBL15875549 0.76 CDK4 (0.47) CDK4CCND1CDK1CCNB1FLT3
SCHEMBL2565742 0.76 CDK4 (0.42) CDK4CCND1CDK1CCNB1FLT3

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-8389533-B2 Gem-disubstituted and spirocyclic amino pyridines/pyrimidines as cell cycle inhibitors AMGEN INC. (US) 2013-03-05 — — US claimed
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