SCHEMBL7566684

SCHEMBL7566684

COC1=C(C(C)C)c2nc(Nc3ccc(N4CCN(CCC=O)CC4)cc3)ncc2CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.47
CCNA2 P20248 6/20 0.47
CCNA1 P78396 3/20 0.47
IGF1R P08069 1/20 0.46
CDK4 P11802 11/20 0.45
CCND3 P30281 6/20 0.45
AURKA O14965 3/20 0.45
CDK6 Q00534 3/20 0.45
CCNE1 P24864 4/20 0.43
CDK1 P06493 3/20 0.43
CCNB1 P14635 3/20 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
BRD4 O60885 1/20 0.43
EGFR P00533 1/20 0.43
KDR P35968 1/20 0.43
SYK P43405 1/20 0.43
CCND1 P24385 8/20 0.42

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
SCHEMBL7459536 0.91 CDK2 (0.46) CDK2CCNA2CCNA1IGF1RCDK4
SCHEMBL7471773 0.89 CDK2 (0.47) CDK2CCNA2CCNA1IGF1RCDK4
SCHEMBL7470231 0.85 CDK2 (0.44) CDK2CCNA2CCNA1IGF1RCDK4
SCHEMBL7461474 0.85 CDK4 (0.46) CDK2CCNA2CCNA1IGF1RCDK4
SCHEMBL6086207 0.85 CDK4 (0.56) CDK2CCNA2CCNA1IGF1RCDK4
SCHEMBL7470307 0.84 CDK2 (0.43) CDK2CCNA2CCNA1IGF1RCDK4
SCHEMBL7470120 0.84 CDK2 (0.47) CDK2CCNA2CCNA1IGF1RCDK4
SCHEMBL6089233 0.82 CDK2 (0.60) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL6087131 0.82 SYK (0.53) CDK2CCNA2CCNA1IGF1RCDK4
SCHEMBL6087139 0.82 CDK4 (0.58) CDK2CCNA2CCNA1IGF1RCDK4

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 2 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 disclosed
WO-2001038315-A1 QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES WARNER-LAMBERT COMPANY (US) 2001-05-31 WO disclosed