SCHEMBL6940707

SCHEMBL6940707

CCCn1c(=O)cc(C)c2cnc(Nc3ccc(N4CCN(C(=O)CC)CC4)cc3)nc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 11/20 0.62
CCND1 P24385 11/20 0.62
CCND2 P30279 11/20 0.62
CCND3 P30281 11/20 0.62
NUAK1 O60285 2/20 0.56
MARK3 P27448 1/20 0.56
MARK2 Q7KZI7 1/20 0.56
MARK4 Q96L34 1/20 0.56
NUAK2 Q9H093 1/20 0.56
MARK1 Q9P0L2 1/20 0.56
TTK P33981 5/20 0.55
SYK P43405 3/20 0.52
EGFR P00533 1/20 0.52
CCNB2 O95067 1/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
FGFR1 P11362 1/20 0.51
FGFR2 P21802 1/20 0.51
FGFR4 P22455 1/20 0.51

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
SCHEMBL6942982 0.86 CDK4 (0.72) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL6938656 0.85 EGFR (0.61) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL6938652 0.83 CDK4 (0.82) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL6940089 0.81 CDK4 (0.72) CDK4CCND1CCND2CCND3NUAK1
Trifluoroacetic Acid SCHEMBL7074140 0.80 CDK4 (0.75) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL6939784 0.76 CDK4 (0.56) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL6943183 0.76 CDK4 (0.52) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL6940620 0.74 CDK4 (1.00) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL6940718 0.74 CDK4 (0.70) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL23545021 0.73 JAK3 (0.70) CDK4CCND1CCND2CCND3

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