SCHEMBL6087327

SCHEMBL6087327

Cc1cc(N)c(C2CCCC2)c2nc(Nc3ccc(N4CCC(CCCc5nnn[nH]5)CC4)cc3)ncc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.54
CCND1 P24385 20/20 0.54
CCND2 P30279 9/20 0.48
CCND3 P30281 9/20 0.48
CCNE1 P24864 7/20 0.41
CDK2 P24941 7/20 0.41
CDK1 P06493 7/20 0.41
CCNB1 P14635 7/20 0.41
NUAK1 O60285 2/20 0.40
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
CCNE2 O96020 1/20 0.39
MARK3 P27448 1/20 0.39
MARK2 Q7KZI7 1/20 0.39
MARK4 Q96L34 1/20 0.39
NUAK2 Q9H093 1/20 0.39
MARK1 Q9P0L2 1/20 0.39
CCNB2 O95067 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
SCHEMBL6087532 0.92 CDK4 (0.66) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL6087433 0.91 CDK4 (0.53) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL7532226 0.90 CDK4 (0.67) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL6086857 0.88 CDK4 (0.50) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL6087652 0.83 CDK4 (0.64) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL6087204 0.83 CDK4 (0.49) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL6087550 0.82 CDK4 (0.63) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL6087564 0.82 CDK4 (0.66) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL7070558 0.80 CDK4 (0.75) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL6087502 0.80 CDK4 (0.80) CDK4CCND1CCND2CCND3CCNE1

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