SCHEMBL6087308

SCHEMBL6087308

CC(C)C1=C(O)CCc2cnc(Nc3ccc(N4CCC(N)C4)cc3)nc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.54
CDK4 P11802 7/20 0.54
CCND1 P24385 4/20 0.54
CDK1 P06493 4/20 0.54
CCNB1 P14635 4/20 0.54
CCNE1 P24864 4/20 0.54
CCND3 P30281 4/20 0.46
CCND2 P30279 1/20 0.46
CCNA2 P20248 5/20 0.44
CDK6 Q00534 3/20 0.44
AURKA O14965 3/20 0.44
CCNA1 P78396 2/20 0.44
IGF1R P08069 1/20 0.43
CCNT1 O60563 2/20 0.42
CDK7 P50613 2/20 0.42
CDK9 P50750 2/20 0.42
CCNH P51946 2/20 0.42
PIM1 P11309 1/20 0.41
TTK P33981 1/20 0.41
PIM2 Q9P1W9 1/20 0.41

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
SCHEMBL6088159 0.88 CDK2 (0.60) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL6088186 0.86 CDK4 (0.55) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL6086798 0.85 IGF1R (0.50) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL6086925 0.83 IGF1R (0.46) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL6086788 0.83 CDK4 (0.57) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL6087971 0.80 ALK (0.57) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL6086935 0.79 IGF1R (0.41) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL6086937 0.79 CDK2 (0.57) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL7468800 0.79 CDK2 (0.48) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL6087482 0.79 CDK2 (0.50) 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