SCHEMBL7466645

SCHEMBL7466645

COC1=C(C2CCCC2)c2nc(Nc3ccc(N4CCN(C(N)C=O)CC4)cc3)ncc2CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.46
CCNA2 P20248 4/20 0.46
CCNA1 P78396 2/20 0.46
CDK4 P11802 11/20 0.45
CCND1 P24385 9/20 0.45
CCNE1 P24864 5/20 0.44
CDK1 P06493 4/20 0.44
CCNB1 P14635 4/20 0.44
AURKA O14965 3/20 0.44
CCND3 P30281 2/20 0.44
CDK6 Q00534 2/20 0.44
IGF1R P08069 2/20 0.43
PIM1 P11309 1/20 0.43
TTK P33981 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
SYK P43405 3/20 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
SCHEMBL7462107 0.88 CDK2 (0.45) CDK2CCNA2CCNA1CDK4CCND1
SCHEMBL7475134 0.86 CDK4 (0.43) CDK2CCNA2CCNA1CDK4CCND1
SCHEMBL6086792 0.86 CDK4 (0.59) CDK2CCNA2CCNA1CDK4CCND1
SCHEMBL7470120 0.86 CDK2 (0.47) CDK2CCNA2CCNA1CDK4CCND1
SCHEMBL7463941 0.85 CDK4 (0.47) CDK2CCNA2CCNA1CDK4CCND1
SCHEMBL6086979 0.84 CDK2 (0.51) CDK2CCNA2CCNA1CDK4CCND1
SCHEMBL7461474 0.84 CDK4 (0.46) CDK2CCNA2CCNA1CDK4CCND1
SCHEMBL6087311 0.83 CDK4 (0.64) CDK2CDK4CCND1CCNE1CDK1
SCHEMBL6086902 0.83 CDK4 (0.61) CDK2CCNA2CCNA1CDK4CCND1
SCHEMBL6088759 0.82 CDK2 (0.66) CDK2CCNA2CCNA1CDK4CCND1

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