SCHEMBL6088038

SCHEMBL6088038

CCC(=O)N1CCN(c2ccc(Nc3ncc4ccc(O)c(C5CCCC5)c4n3)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 15/20 0.70
CCND1 P24385 15/20 0.70
CCNE1 P24864 10/20 0.70
CDK2 P24941 10/20 0.70
CDK1 P06493 8/20 0.70
CCNB1 P14635 8/20 0.70
SYK P43405 5/20 0.57
JAK2 O60674 2/20 0.47
JAK1 P23458 2/20 0.47
JAK3 P52333 2/20 0.47
CHEK1 O14757 1/20 0.46
NUAK1 O60285 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
TYK2 P29597 1/20 0.46
FLT4 P35916 1/20 0.46
FLT3 P36888 1/20 0.46
RPS6KA3 P51812 1/20 0.46
MAPK10 P53779 1/20 0.46
MAP3K9 P80192 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
SCHEMBL6088904 0.91 CDK4 (0.79) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6088445 0.90 CDK4 (0.79) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087890 0.89 CDK4 (0.86) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087426 0.88 CDK4 (0.75) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087370 0.87 CDK4 (0.62) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6088709 0.86 CDK4 (0.68) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6088589 0.84 CDK4 (0.63) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6086517 0.84 CDK4 (0.67) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6089268 0.83 CDK4 (0.71) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6086635 0.83 CDK4 (0.75) 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