SCHEMBL6087139

SCHEMBL6087139

COC1=C(C(C)C)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc2CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.58
CCND1 P24385 11/20 0.58
CDK2 P24941 8/20 0.58
CDK1 P06493 6/20 0.58
CCNB1 P14635 6/20 0.58
CCNE1 P24864 3/20 0.58
CCNA2 P20248 5/20 0.54
CCND3 P30281 3/20 0.54
CDK6 Q00534 1/20 0.54
CCNT1 O60563 3/20 0.51
CDK7 P50613 3/20 0.51
CDK9 P50750 3/20 0.51
CCNH P51946 3/20 0.51
BRD4 O60885 2/20 0.49
CCNA1 P78396 2/20 0.48
CCND2 P30279 1/20 0.47
IGF1R P08069 1/20 0.47
FLT3 P36888 1/20 0.46

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
SCHEMBL6086207 0.91 CDK4 (0.56) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6086788 0.87 CDK4 (0.57) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6089233 0.85 CDK2 (0.60) CDK4CCND1CDK2CCNE1CCNA2
SCHEMBL7459536 0.83 CDK2 (0.46) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6088159 0.83 CDK2 (0.60) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL7470120 0.83 CDK2 (0.47) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6087131 0.83 SYK (0.53) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6086902 0.83 CDK4 (0.61) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6086487 0.83 IGF1R (0.46) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6086415 0.82 CDK2 (0.51) CDK4CCND1CDK2CDK1CCNB1

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