SCHEMBL7500850

SCHEMBL7500850

CCCCCn1c(=O)ccc2cnc(Nc3ccc(C(F)(F)F)c([N+](=O)[O-])c3)nc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.56
CCND1 P24385 20/20 0.56
CCND2 P30279 20/20 0.56
CCND3 P30281 20/20 0.56
CCNB2 O95067 4/20 0.56
CCNE2 O96020 4/20 0.56
CDK1 P06493 4/20 0.56
FGFR1 P11362 4/20 0.56
CCNB1 P14635 4/20 0.56
CCNA2 P20248 4/20 0.56
FGFR2 P21802 4/20 0.56
FGFR4 P22455 4/20 0.56
FGFR3 P22607 4/20 0.56
CCNE1 P24864 4/20 0.56
CDK2 P24941 4/20 0.56
CCNA1 P78396 4/20 0.56
CCNB3 Q8WWL7 4/20 0.56
SRC P12931 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
SCHEMBL7505247 0.85 CDK4 (0.61) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL7506755 0.84 CDK4 (0.60) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL7500239 0.84 CDK4 (0.60) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6812684 0.82 CDK4 (0.48) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6808330 0.82 CDK4 (0.65) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6809057 0.82 CDK4 (0.61) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL7508979 0.81 CDK4 (0.67) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6808128 0.81 CDK4 (0.64) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6808764 0.81 CDK4 (0.64) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL7508547 0.80 CDK4 (0.68) CDK4CCND1CCND2CCND3CCNB2

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 4 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 claimed
WO-2001055148-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2001-08-02 WO claimed
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