SCHEMBL27596007

SCHEMBL27596007

CCC(C)n1c(=O)ccc2cnc(Nc3ccc(CC(C)(C)OC(N)=O)cc3)nc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 18/20 0.62
▸ CCND1 P24385 18/20 0.62
▸ CCND2 P30279 16/20 0.62
▸ CCND3 P30281 16/20 0.62
▸ JAK3 P52333 1/20 0.45
▸ CDK2 P24941 5/20 0.44
▸ CCNE1 P24864 4/20 0.44
▸ CCNA2 P20248 4/20 0.44
▸ CCNB2 O95067 3/20 0.44
▸ CCNE2 O96020 3/20 0.44
▸ CDK1 P06493 3/20 0.44
▸ FGFR1 P11362 3/20 0.44
▸ CCNB1 P14635 3/20 0.44
▸ FGFR2 P21802 3/20 0.44
▸ FGFR4 P22455 3/20 0.44
▸ FGFR3 P22607 3/20 0.44
▸ CCNA1 P78396 3/20 0.44
▸ CCNB3 Q8WWL7 3/20 0.44
▸ CCNT1 O60563 1/20 0.44
▸ CDK9 P50750 1/20 0.44

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
SCHEMBL27578180 0.85 CDK4 (0.63) CDK4CCND1CCND2CCND3JAK3
SCHEMBL27578182 0.85 CDK4 (0.56) CDK4CCND1CCND2CCND3JAK3
SCHEMBL27577836 0.83 CDK4 (0.63) CDK4CCND1CCND2CCND3JAK3
SCHEMBL6803708 0.82 CDK4 (0.67) CDK4CCND1CCND2CCND3JAK3
SCHEMBL27595860 0.80 CCND1 (0.60) CDK4CCND1CCND2CCND3JAK3
SCHEMBL6812506 0.78 CDK4 (0.76) CDK4CCND1CCND2CCND3CDK2
SCHEMBL5264058 0.78 CDK4 (1.00) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6809354 0.77 CDK4 (0.72) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6807928 0.76 CDK4 (0.69) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6812962 0.75 CDK4 (0.74) CDK4CCND1CCND2CCND3CDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1433417-A Pyridopyrimidinone derivatives for treatment of neurodegenerative disease WARNER LAMBERT CO (US) 2003-07-30 — — CN claimed
CN-1433417-A Pyridopyrimidinone derivatives for treatment of neurodegenerative disease WARNER LAMBERT CO (US) 2003-07-30 — — CN disclosed
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