SCHEMBL7471665

SCHEMBL7471665

CC(C)C1C(O)=CCc2cnc(Nc3ccc(N4CCN(C(N)C=O)CC4)cc3)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.40
CDK4 P11802 5/20 0.40
CCND1 P24385 4/20 0.40
CDK2 P24941 4/20 0.40
CCNA2 P20248 3/20 0.40
CDK1 P06493 2/20 0.40
CCND3 P30281 2/20 0.40
CCNA1 P78396 2/20 0.40
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
FGFR1 P11362 1/20 0.40
CCNB1 P14635 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
CCND2 P30279 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 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
SCHEMBL7463398 0.88 EGFR (0.42) CDK4CCND1CDK2CCNA2CDK1
SCHEMBL7467084 0.86 JAK3 (0.38) SYKCDK4CCND1CDK2CCNA2
SCHEMBL6090969 0.86 CDK4 (0.46) SYKCDK4CCND1CDK2CCNA2
SCHEMBL7468168 0.85 CDK4 (0.40) SYKCDK4CCND1CDK2CCNA2
SCHEMBL7463354 0.85 ERBB3 (0.41) SYKCDK4CCND1CDK2CCNA2
SCHEMBL7466826 0.85 CDK4 (0.38) SYKCDK4CCND1CDK2CCNA2
SCHEMBL6087486 0.84 ALK (0.56) SYKCDK4CCND1CDK2CCNE1
SCHEMBL6087827 0.84 SYK (0.44) SYKCDK4CCND1CDK2CCNE1
SCHEMBL6089214 0.83 CDK2 (0.54) SYKCDK4CCND1CDK2CDK1
SCHEMBL6087196 0.83 CDK4 (0.49) SYKCDK4CCND1CDK2CCNA2

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 2 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