SCHEMBL28770019

SCHEMBL28770019

Cc1ccccc1C(=O)c1cnc(NC2CCN(C(=O)O)CC2)nc1N

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 18/20 0.79
▸ CDK4 P11802 18/20 0.79
▸ CCND1 P24385 18/20 0.79
▸ CDK2 P24941 17/20 0.79
▸ BTK Q06187 1/20 0.48

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
SCHEMBL4352584 0.88 CDK1 (1.00) CDK1CDK4CCND1CDK2
SCHEMBL27708355 0.88 CDK1 (0.76) CDK1CDK4CCND1CDK2BTK
SCHEMBL6808274 0.87 CDK1 (0.86) CDK1CDK4CCND1CDK2
SCHEMBL4351149 0.79 CDK1 (0.86) CDK1CDK4CCND1CDK2
SCHEMBL4348425 0.79 CDK1 (1.00) CDK1CDK4CCND1CDK2
SCHEMBL4350490 0.79 CDK1 (1.00) CDK1CDK4CCND1CDK2
SCHEMBL4355446 0.79 CDK1 (0.67) CDK1CDK4CCND1CDK2
SCHEMBL4352127 0.78 CDK1 (0.78) CDK1CDK4CCND1CDK2
SCHEMBL4355780 0.78 CDK1 (1.00) CDK1CDK4CCND1CDK2
SCHEMBL4348182 0.78 CDK1 (1.00) CDK1CDK4CCND1CDK2

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-101044121-A 4-aminopyrimidine-5-one HOFFMANN LA ROCHE (CH) 2007-09-26 — — CN claimed
CN-101044121-A 4-aminopyrimidine-5-one HOFFMANN LA ROCHE (CH) 2007-09-26 — — CN disclosed
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