SCHEMBL6087322

SCHEMBL6087322

Cc1cc(Nc2ncc3c(n2)C(C2CCCC2)=C(O)CC3)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.44
CDK1 P06493 6/20 0.44
CDK4 P11802 4/20 0.44
CCNB1 P14635 4/20 0.44
CCND1 P24385 4/20 0.44
CCNE1 P24864 4/20 0.44
CCNT1 O60563 3/20 0.44
CDK9 P50750 3/20 0.44
CDK7 P50613 2/20 0.44
CCNH P51946 2/20 0.44
IGF1R P08069 2/20 0.41
IKBKB O14920 1/20 0.39
AURKA O14965 3/20 0.39
CCNA2 P20248 2/20 0.38
AXL P30530 3/20 0.38
JAK2 O60674 1/20 0.37
ABL1 P00519 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
SCHEMBL6087286 0.87 CDK2 (0.41) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL6086206 0.83 CDK2 (0.43) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL6087802 0.80 IGF1R (0.57) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL6087509 0.79 IGF1R (0.46) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL6089542 0.77 CDK4 (0.51) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL6086728 0.75 CDK4 (0.66) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL6087397 0.75 IGF1R (0.46) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL6086831 0.74 CDK4 (0.61) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL6087387 0.73 CDK4 (0.59) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL6088186 0.73 CDK4 (0.55) CDK2CDK1CDK4CCNB1CCND1

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