SCHEMBL6087809

SCHEMBL6087809

CCC(=O)N1CCN(c2ccc(Nc3ncc4c(n3)C(C(C)C)C(OC)=CC4)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.51
CDK2 P24941 7/20 0.49
CDK4 P11802 5/20 0.49
CCND1 P24385 5/20 0.49
CCNE1 P24864 4/20 0.49
CDK1 P06493 2/20 0.49
CCNB1 P14635 2/20 0.49
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
JAK3 P52333 1/20 0.46
ALK Q9UM73 5/20 0.45
KCNH2 Q12809 1/20 0.45
EGFR P00533 2/20 0.43
CSF1R P07333 1/20 0.43

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
SCHEMBL6087447 0.93 CDK2 (0.58) SYKCDK2CDK4CCND1CCNE1
SCHEMBL6086302 0.91 CDK4 (0.56) SYKCDK2CDK4CCND1CCNE1
SCHEMBL6089242 0.89 SYK (0.53) SYKCDK2CDK4CCND1CCNE1
SCHEMBL6087559 0.87 CDK2 (0.44) SYKCDK2CDK4CCND1CCNE1
SCHEMBL6090424 0.87 CDK2 (0.44) SYKCDK2CDK4CCND1CCNE1
SCHEMBL6087469 0.86 CDK4 (0.51) CDK2CDK4CCND1CCNE1CDK1
SCHEMBL6088226 0.85 SYK (0.52) SYKCDK2CDK4CCND1CCNE1
SCHEMBL7472695 0.84 EGFR (0.42) SYKCDK2CDK4CCND1CCNE1
SCHEMBL6089773 0.84 CDK4 (0.53) SYKCDK2CDK4CCND1CCNE1
SCHEMBL7473002 0.83 EGFR (0.43) SYKCDK2CDK4CCND1CCNE1

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