SCHEMBL6087448

SCHEMBL6087448

CC(C)C(N)C(=O)N1CCN(c2ccc(Nc3ncc4c(n3)C(C3CCCC3)=C(O)CC4)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.47
CDK2 P24941 8/20 0.47
CDK4 P11802 5/20 0.47
CCNA2 P20248 5/20 0.47
AURKA O14965 3/20 0.47
CCND3 P30281 3/20 0.47
CDK6 Q00534 3/20 0.47
CCNA1 P78396 2/20 0.47
CCND1 P24385 2/20 0.46
CCNE1 P24864 2/20 0.46
PIM1 P11309 1/20 0.46
TTK P33981 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46

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
SCHEMBL6086979 0.90 CDK2 (0.51) SYKCDK2CDK4CCNA2AURKA
SCHEMBL6088740 0.90 CDK2 (0.46) SYKCDK2CDK4CCNA2AURKA
SCHEMBL6087482 0.88 CDK2 (0.50) SYKCDK2CDK4CCNA2AURKA
SCHEMBL6087387 0.88 CDK4 (0.59) SYKCDK2CDK4CCNA2AURKA
SCHEMBL6086471 0.86 SYK (0.56) SYKCDK2CDK4CCNA2AURKA
SCHEMBL6088548 0.86 CDK2 (0.59) SYKCDK2CDK4CCNA2AURKA
SCHEMBL6089542 0.84 CDK4 (0.51) SYKCDK2CDK4CCNA2AURKA
SCHEMBL7470353 0.83 CDK2 (0.43) SYKCDK2CDK4CCNA2AURKA
SCHEMBL7462107 0.83 CDK2 (0.45) SYKCDK2CDK4CCNA2AURKA
SCHEMBL6086831 0.81 CDK4 (0.61) SYKCDK2CDK4CCNA2CCND3

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