SCHEMBL7501227

SCHEMBL7501227

CCCCCC#CCn1c(=O)ccc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.72
CCND1 P24385 13/20 0.72
CCND2 P30279 13/20 0.72
CCND3 P30281 13/20 0.72
CCNE2 O96020 4/20 0.59
CCNA2 P20248 4/20 0.59
CCNE1 P24864 4/20 0.59
CDK2 P24941 4/20 0.59
CCNA1 P78396 4/20 0.59
CCNB2 O95067 3/20 0.59
CDK1 P06493 3/20 0.59
FGFR1 P11362 3/20 0.59
CCNB1 P14635 3/20 0.59
FGFR2 P21802 3/20 0.59
FGFR4 P22455 3/20 0.59
FGFR3 P22607 3/20 0.59
CCNB3 Q8WWL7 3/20 0.59
JAK3 P52333 7/20 0.57
PAK4 O96013 1/20 0.56
PAK1 Q13153 1/20 0.56

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
SCHEMBL5265407 0.94 CDK4 (0.76) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL7512399 0.88 CDK4 (0.81) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL5263669 0.86 CDK4 (0.75) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL7507398 0.84 CDK4 (0.72) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL5265052 0.84 CDK4 (1.00) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL5265452 0.83 CDK4 (0.70) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL5267674 0.82 CDK4 (0.75) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL5262572 0.81 CDK4 (0.72) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL5265184 0.80 CDK4 (0.80) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL5264508 0.79 CDK4 (0.79) CDK4CCND1CCND2CCND3CCNE2

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
EP-1255755-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001055148-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2001-08-02 WO disclosed