SCHEMBL6089276

SCHEMBL6089276

CC(C)C1=C(O)CCc2cnc(Nc3ccncc3)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.45
CDK4 P11802 6/20 0.45
CCNT1 O60563 5/20 0.45
CDK1 P06493 5/20 0.45
CCNB1 P14635 5/20 0.45
CCND1 P24385 5/20 0.45
CCNE1 P24864 5/20 0.45
CDK9 P50750 5/20 0.45
CDK7 P50613 4/20 0.45
CCNH P51946 4/20 0.45
IGF1R P08069 6/20 0.45
CCNA2 P20248 6/20 0.43
PLK1 P53350 4/20 0.41
AURKA O14965 3/20 0.41
CCNA1 P78396 3/20 0.41
IKBKB O14920 2/20 0.41
KDR P35968 1/20 0.40
CCND3 P30281 1/20 0.39
TTK P33981 1/20 0.39
CDK6 Q00534 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
SCHEMBL6086771 0.89 CDK2 (0.56) CDK2CDK4CCNT1CDK1CCNB1
SCHEMBL6087697 0.84 IKBKB (0.46) CDK2CDK4CCNT1CDK1CCNB1
SCHEMBL6086798 0.82 IGF1R (0.50) CDK2CDK4CCNT1CDK1CCNB1
SCHEMBL6086206 0.80 CDK2 (0.43) CDK2CDK4CCNT1CDK1CCNB1
SCHEMBL6087509 0.80 IGF1R (0.46) CDK2CDK4CCNT1CDK1CCNB1
SCHEMBL6086788 0.80 CDK4 (0.57) CDK2CDK4CCNT1CDK1CCNB1
SCHEMBL6086925 0.78 IGF1R (0.46) CDK2CDK4CCNT1CDK1CCNB1
SCHEMBL6087971 0.77 ALK (0.57) CDK2CDK4CCNT1CDK1CCNB1
SCHEMBL6087308 0.77 CDK2 (0.54) CDK2CDK4CCNT1CDK1CCNB1
SCHEMBL6086413 0.75 SYK (0.53) CDK2CDK4CDK1CCNB1CCND1

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