SCHEMBL5263285

SCHEMBL5263285

O=c1ccc2cnc(Nc3ccc(N4CCC(CCN5CCOCC5)CC4)cc3)nc2n1C1CCCCC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.79
CCND1 P24385 18/20 0.79
CCND2 P30279 17/20 0.79
CCND3 P30281 17/20 0.79
CDK2 P24941 11/20 0.79
CCNA2 P20248 10/20 0.79
CCNA1 P78396 8/20 0.79
CCNE2 O96020 7/20 0.79
CCNE1 P24864 7/20 0.79
CCNB2 O95067 4/20 0.79
CDK1 P06493 4/20 0.79
CCNB1 P14635 4/20 0.79
CCNB3 Q8WWL7 4/20 0.79
FGFR1 P11362 7/20 0.71
FGFR2 P21802 7/20 0.71
FGFR4 P22455 7/20 0.71
FGFR3 P22607 7/20 0.71
PAK4 O96013 1/20 0.69
PAK1 Q13153 1/20 0.69
PKN1 Q16512 1/20 0.69

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
SCHEMBL10192614 0.89 CDK4 (1.00) CDK4CCND1CCND2CCND3CDK2
SCHEMBL5267901 0.88 CDK4 (0.88) CDK4CCND1CCND2CCND3CDK2
SCHEMBL5266345 0.87 CDK4 (0.90) CDK4CCND1CCND2CCND3CDK2
SCHEMBL3971770 0.87 CDK4 (0.65) CDK4CCND1CCND2CCND3CDK2
SCHEMBL5263290 0.86 CDK4 (0.67) CDK4CCND1CCND2CCND3CDK2
SCHEMBL5265792 0.85 CDK4 (1.00) CDK4CCND1CCND2CCND3CDK2
SCHEMBL4714586 0.85 CDK4 (0.78) CDK4CCND1CCND2CCND3CDK2
SCHEMBL5263902 0.85 CDK4 (1.00) CDK4CCND1CCND2CCND3CDK2
SCHEMBL5263022 0.85 CDK4 (1.00) CDK4CCND1CCND2CCND3CDK2
SCHEMBL5266784 0.85 CDK4 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1806348-A2 Pyrido (2,3-D)Pyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-07-11 EP disclosed
US-6498163-B1 POTENT INHIBITORS OF CYCLIN-DEPENDENT KINASES AND GROWTH FACTOR MEDIATED KINASES; CANCER, RESTENOSIS, ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2002-12-24 US disclosed
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