SCHEMBL6944941

SCHEMBL6944941

Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCCN(C)CC4)cc3)ncc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.79
CCND1 P24385 19/20 0.79
CCND2 P30279 15/20 0.79
CCND3 P30281 15/20 0.79
CDK2 P24941 10/20 0.79
CCNA2 P20248 9/20 0.79
CCNE1 P24864 8/20 0.79
CCNE2 O96020 7/20 0.79
CCNA1 P78396 6/20 0.79
CDK1 P06493 5/20 0.79
CCNB1 P14635 5/20 0.79
CCNB2 O95067 4/20 0.79
CCNB3 Q8WWL7 4/20 0.79
FGFR1 P11362 3/20 0.79
FGFR2 P21802 2/20 0.79
FGFR4 P22455 2/20 0.79
FGFR3 P22607 2/20 0.79
NUAK1 O60285 2/20 0.69
MARK3 P27448 2/20 0.69
MARK2 Q7KZI7 2/20 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
SCHEMBL6939570 0.90 CDK4 (0.79) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6943064 0.89 CDK4 (0.82) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6945910 0.88 CDK4 (1.00) CDK4CCND1CCND2CCND3CDK2
SCHEMBL7079324 0.87 CDK4 (0.77) CDK4CCND1CCND2CCND3CDK2
SCHEMBL7077957 0.87 CDK4 (0.95) CDK4CCND1CCND2CCND3CDK2
SCHEMBL29507443 0.87 CDK4 (1.00) CDK4CCND1CCND2CCND3CDK2
SCHEMBL4830785 0.87 CDK4 (1.00) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6944507 0.87 CDK4 (0.82) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6945732 0.85 CDK4 (0.74) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6939340 0.85 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268476-A1 5-ALKYLPYRIDO[2,3-D]PYRIMIDINES TYROSINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-01-02 EP claimed
WO-2001070741-A1 5-ALKYLPYRIDO[2,3-D]PYRIMIDINES TYROSINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-09-27 WO claimed
EP-1268476-A1 5-ALKYLPYRIDO[2,3-D]PYRIMIDINES TYROSINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-01-02 EP disclosed
WO-2001070741-A1 5-ALKYLPYRIDO[2,3-D]PYRIMIDINES TYROSINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-09-27 WO disclosed