SCHEMBL6087151

SCHEMBL6087151

CC(C)C1C(O)=CCc2cnc(Nc3ccc(N4CC5CN(C)CC5C4)cc3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.41
CCND1 P24385 3/20 0.41
CCND2 P30279 3/20 0.41
CCND3 P30281 3/20 0.41
EGFR P00533 8/20 0.41
KDR P35968 5/20 0.40
SYK P43405 2/20 0.40
CDK2 P24941 2/20 0.39
CDK1 P06493 2/20 0.39
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
FGFR1 P11362 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
CCNE1 P24864 1/20 0.39
CCNA1 P78396 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39

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
SCHEMBL6090969 0.87 CDK4 (0.46) CDK4CCND1CCND2CCND3EGFR
SCHEMBL6087731 0.87 EGFR (0.44) CDK4CCND1CCND2CCND3EGFR
SCHEMBL6087196 0.85 CDK4 (0.49) CDK4CCND1CCND2CCND3SYK
SCHEMBL6088805 0.84 CDK4 (0.51) CDK4CCND1CCND2CCND3EGFR
SCHEMBL6087803 0.84 CDK4 (0.42) CDK4CCND1CCND2CCND3EGFR
SCHEMBL6087158 0.84 EGFR (0.36) CDK4CCND1CCND2CCND3EGFR
SCHEMBL6087486 0.82 ALK (0.56) CDK4CCND1SYKCDK2CCNE1
SCHEMBL6087067 0.81 CDK2 (0.44) CDK4CCND1CCND2CCND3EGFR
SCHEMBL6086878 0.80 PIK3C3 (0.35) CDK4CCND1CCND2CCND3KDR
SCHEMBL6089242 0.80 SYK (0.53) CDK4CCND1EGFRSYKCDK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235815-A1 QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES WARNER-LAMBERT COMPANY (US) 2002-09-04 EP claimed
WO-2001038315-A1 QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES WARNER-LAMBERT COMPANY (US) 2001-05-31 WO claimed
US-6982260-B1 Quinazolines and their use for inhibiting cyclin-dependent kinase enzymes WARNER-LAMBERT COMPANY (US) 2006-01-03 US disclosed
EP-1235815-A1 QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES WARNER-LAMBERT COMPANY (US) 2002-09-04 EP disclosed
WO-2001038315-A1 QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES WARNER-LAMBERT COMPANY (US) 2001-05-31 WO disclosed