SCHEMBL6087344

SCHEMBL6087344

CC(C)c1c(O)ccc2cnc(Nc3ccc(N4CCC(CCCN5CCC(N)C5)CC4)c(Cl)c3)nc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 10/20 0.48
CCND1 P24385 10/20 0.48
CCNE1 P24864 8/20 0.48
CDK2 P24941 8/20 0.48
CDK1 P06493 7/20 0.48
CCNB1 P14635 7/20 0.48
JAK3 P52333 4/20 0.40
SYK P43405 4/20 0.37
CCND2 P30279 1/20 0.37
CCND3 P30281 1/20 0.37
RPS6KA3 P51812 1/20 0.37
CAMK2D Q13557 1/20 0.37

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
SCHEMBL6087047 0.90 CDK4 (0.61) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087597 0.89 CDK4 (0.59) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087523 0.88 CDK4 (0.49) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6086844 0.88 CDK4 (0.54) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087325 0.82 CDK4 (0.61) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6089263 0.81 CDK4 (0.51) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087164 0.79 CDK4 (0.75) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087005 0.79 CDK4 (0.64) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6086805 0.79 CDK4 (0.58) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6090027 0.77 CDK4 (0.56) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982260-B1 Quinazolines and their use for inhibiting cyclin-dependent kinase enzymes WARNER-LAMBERT COMPANY (US) 2006-01-03 US claimed
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