SCHEMBL6939784

SCHEMBL6939784

CCCn1c(=O)cc(C)c2cnc(Nc3ccc(N4CCOCC4)c(Cl)c3)nc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.56
CCND1 P24385 5/20 0.56
CCND2 P30279 5/20 0.56
CCND3 P30281 5/20 0.56
CCNB2 O95067 1/20 0.53
CDK1 P06493 1/20 0.53
CCNB1 P14635 1/20 0.53
CCNB3 Q8WWL7 1/20 0.53
JAK3 P52333 5/20 0.48
MAPK9 P45984 2/20 0.48
CHEK1 O14757 1/20 0.48
AURKA O14965 1/20 0.48
DAPK3 O43293 1/20 0.48
JAK2 O60674 1/20 0.48
MAP4K4 O95819 1/20 0.48
PAK4 O96013 1/20 0.48
ABL1 P00519 1/20 0.48
CSF1R P07333 1/20 0.48
RET P07949 1/20 0.48
LTK P29376 1/20 0.48

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
SCHEMBL6940718 0.90 CDK4 (0.70) CDK4CCND1CCND2CCND3JAK3
SCHEMBL6939778 0.84 CDK4 (0.64) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6939302 0.83 CCND3 (0.58) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6938891 0.82 CDK4 (0.81) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6939295 0.81 CDK4 (0.80) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6943183 0.78 CDK4 (0.52) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6940089 0.76 CDK4 (0.72) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6940707 0.76 CDK4 (0.62) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL7079053 0.76 CDK4 (0.68) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6942006 0.76 CDK4 (0.56) 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-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