SCHEMBL6086771

SCHEMBL6086771

CC(C)C1=C(O)CCc2cnc(Nc3ccccc3)nc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.56
CCNA2 P20248 10/20 0.56
CDK4 P11802 5/20 0.53
CDK1 P06493 3/20 0.53
CCNB1 P14635 3/20 0.53
CCND1 P24385 3/20 0.53
CCNE1 P24864 3/20 0.53
CCNT1 O60563 2/20 0.53
CDK7 P50613 2/20 0.53
CDK9 P50750 2/20 0.53
CCNH P51946 2/20 0.53
CCNA1 P78396 6/20 0.52
AURKA O14965 5/20 0.52
PLK1 P53350 5/20 0.52
IGF1R P08069 7/20 0.51
CCND3 P30281 2/20 0.49
TTK P33981 2/20 0.49
CDK6 Q00534 2/20 0.49
PLK3 Q9H4B4 1/20 0.49
PLK2 Q9NYY3 1/20 0.49

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
SCHEMBL6089276 0.89 CDK2 (0.45) CDK2CCNA2CDK4CDK1CCNB1
SCHEMBL6087107 0.84 CDK2 (0.55) CDK2CCNA2CDK4CDK1CCNB1
SCHEMBL6086798 0.83 IGF1R (0.50) CDK2CCNA2CDK4CDK1CCNB1
SCHEMBL6086206 0.81 CDK2 (0.43) CDK2CCNA2CDK4CDK1CCNB1
SCHEMBL6086788 0.81 CDK4 (0.57) CDK2CCNA2CDK4CDK1CCNB1
SCHEMBL6087802 0.79 IGF1R (0.57) CDK2CCNA2CDK4CDK1CCNB1
SCHEMBL6086925 0.79 IGF1R (0.46) CDK2CCNA2CDK4CDK1CCNB1
SCHEMBL6087971 0.78 ALK (0.57) CDK2CCNA2CDK4CDK1CCNB1
SCHEMBL6087482 0.78 CDK2 (0.50) CDK2CCNA2CDK4CDK1CCNB1
SCHEMBL6087308 0.78 CDK2 (0.54) CDK2CCNA2CDK4CDK1CCNB1

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