SCHEMBL7473002

SCHEMBL7473002

COC1=CCc2cnc(Nc3ccc(N4CCN(CCC=O)CC4)cc3)nc2C1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.43
KDR P35968 2/20 0.43
BRD4 O60885 8/20 0.41
SYK P43405 1/20 0.41
CDK4 P11802 3/20 0.41
AURKA O14965 1/20 0.41
CCND1 P24385 2/20 0.40
CCND2 P30279 2/20 0.40
CCND3 P30281 2/20 0.40
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
CDK1 P06493 1/20 0.40
FGFR1 P11362 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL7472695 0.92 EGFR (0.42) EGFRKDRBRD4SYKCDK4
SCHEMBL7464943 0.86 EGFR (0.39) EGFRKDRBRD4SYKCDK4
SCHEMBL7465044 0.86 CDK4 (0.45) EGFRKDRSYKCDK4AURKA
SCHEMBL6087469 0.85 CDK4 (0.51) EGFRKDRBRD4CDK4CCND1
SCHEMBL7469986 0.85 EGFR (0.38) EGFRKDRBRD4SYKCDK4
SCHEMBL7463398 0.85 EGFR (0.42) EGFRKDRBRD4CDK4CCND1
SCHEMBL6086302 0.83 CDK4 (0.56) SYKCDK4CCND1CCNE1CDK2
SCHEMBL6089773 0.83 CDK4 (0.53) EGFRKDRBRD4SYKCDK4
SCHEMBL6087809 0.83 SYK (0.51) EGFRSYKCDK4CCND1CDK1
SCHEMBL6087447 0.82 CDK2 (0.58) SYKCDK4CCND1CDK1CCNB1

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-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
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