SCHEMBL6086487

SCHEMBL6086487

COC1=C(C(C)C)c2nc(Nc3ccc(N4CC5CN(C)CC5C4)cc3)ncc2CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.46
CDK2 P24941 9/20 0.45
CCNA2 P20248 5/20 0.45
BRD4 O60885 4/20 0.45
CCNA1 P78396 3/20 0.45
CCNE1 P24864 3/20 0.43
CDK1 P06493 2/20 0.43
CCNB1 P14635 2/20 0.43
CCNT1 O60563 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
CCNH P51946 1/20 0.43
CDK4 P11802 6/20 0.43
AURKA O14965 4/20 0.43
CCND3 P30281 3/20 0.43
CDK6 Q00534 2/20 0.43
EGFR P00533 1/20 0.42
KDR P35968 1/20 0.42
CCND1 P24385 4/20 0.41
IKBKB O14920 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
SCHEMBL6086925 0.88 IGF1R (0.46) IGF1RCDK2CCNA2BRD4CCNA1
SCHEMBL6086207 0.85 CDK4 (0.56) IGF1RCDK2CCNA2BRD4CCNA1
SCHEMBL6088874 0.84 CDK4 (0.46) IGF1RCDK2CCNA2CCNA1CCNE1
SCHEMBL6088159 0.83 CDK2 (0.60) IGF1RCDK2CCNA2BRD4CCNA1
SCHEMBL6086490 0.83 IGF1R (0.41) IGF1RCDK2CCNA2BRD4CCNA1
SCHEMBL6087139 0.83 CDK4 (0.58) IGF1RCDK2CCNA2BRD4CCNA1
SCHEMBL6089233 0.80 CDK2 (0.60) CDK2CCNA2CCNA1CCNE1CCNT1
SCHEMBL6087107 0.79 CDK2 (0.55) IGF1RCDK2CCNA2CCNA1CCNE1
SCHEMBL7566684 0.79 CDK2 (0.47) IGF1RCDK2CCNA2BRD4CCNA1
SCHEMBL6087697 0.78 IKBKB (0.46) IGF1RCDK2CCNA2CCNA1CCNE1

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