SCHEMBL7464606

SCHEMBL7464606

CC(CC(N)C=O)CN1CCN(c2ccc(Nc3ncc4ccc(O)c(C(C)C)c4n3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 15/20 0.52
CCND1 P24385 15/20 0.52
CCNE1 P24864 11/20 0.52
CDK2 P24941 11/20 0.52
CDK1 P06493 9/20 0.52
CCNB1 P14635 9/20 0.52
CCND2 P30279 4/20 0.42
CCND3 P30281 4/20 0.42
FGFR2 P21802 2/20 0.42
CCNB2 O95067 1/20 0.42
CCNE2 O96020 1/20 0.42
FGFR1 P11362 1/20 0.42
CCNA2 P20248 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
CCNA1 P78396 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
JAK3 P52333 3/20 0.40
PTK2 Q05397 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
SCHEMBL7461941 0.93 CDK4 (0.55) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL7469670 0.89 CDK4 (0.68) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL7475425 0.88 CDK4 (0.61) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL7474503 0.85 CDK4 (0.57) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL7473263 0.84 CDK4 (0.56) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL7463652 0.83 CDK4 (0.55) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL7471042 0.82 CDK4 (0.70) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL7471048 0.80 CDK4 (0.68) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087479 0.80 CDK4 (0.64) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL7474442 0.79 CDK2 (0.44) CDK4CCND1CCNE1CDK2CDK1

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 disclosed
WO-2001038315-A1 QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES WARNER-LAMBERT COMPANY (US) 2001-05-31 WO disclosed