SCHEMBL6087286

SCHEMBL6087286

COC1=C(C2CCCC2)c2nc(Nc3ccc(F)c(C)c3)ncc2CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.41
CDK4 P11802 6/20 0.41
CCND1 P24385 6/20 0.41
CDK1 P06493 5/20 0.41
CCNB1 P14635 5/20 0.41
CCNE1 P24864 5/20 0.41
IGF1R P08069 2/20 0.41
CCNT1 O60563 3/20 0.41
CDK9 P50750 3/20 0.41
CDK7 P50613 2/20 0.41
CCNH P51946 2/20 0.41
IKBKB O14920 2/20 0.41
FYN P06241 1/20 0.41
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
CCNA2 P20248 2/20 0.39
MAPK14 Q16539 1/20 0.38
AXL P30530 3/20 0.38
BCL6 P41182 1/20 0.38
KDR P35968 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
SCHEMBL6087322 0.87 CDK2 (0.44) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL6087080 0.82 IGF1R (0.58) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL6087892 0.82 CDK2 (0.44) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL6087174 0.81 IGF1R (0.47) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL6086792 0.79 CDK4 (0.59) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL6086902 0.76 CDK4 (0.61) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL6088874 0.75 CDK4 (0.46) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL6089093 0.75 CDK4 (0.69) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL6086891 0.74 CDK4 (0.63) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL6086206 0.74 CDK2 (0.43) CDK2CDK4CCND1CDK1CCNB1

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