SCHEMBL6087397

SCHEMBL6087397

CN1CC2CN(c3ccc(Nc4ncc5c(n4)C(C4CCCC4)=C(O)CC5)cc3)CC2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.46
CDK2 P24941 12/20 0.45
CDK4 P11802 9/20 0.45
CCNA2 P20248 7/20 0.45
CCND3 P30281 5/20 0.45
AURKA O14965 4/20 0.45
CCNA1 P78396 4/20 0.45
CDK6 Q00534 3/20 0.45
PIM1 P11309 1/20 0.43
TTK P33981 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
CDK1 P06493 6/20 0.42
CCNE1 P24864 6/20 0.42
CCNB1 P14635 5/20 0.42
CCND1 P24385 5/20 0.42
CDK7 P50613 3/20 0.42
INSR P06213 1/20 0.42
PDGFRB P09619 1/20 0.42
SRC P12931 1/20 0.42
PDGFRA P16234 1/20 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
SCHEMBL6088874 0.88 CDK4 (0.46) IGF1RCDK2CDK4CCNA2CCND3
SCHEMBL6089542 0.86 CDK4 (0.51) IGF1RCDK2CDK4CCNA2CCND3
SCHEMBL6086925 0.86 IGF1R (0.46) IGF1RCDK2CDK4CCNA2CCND3
SCHEMBL6087403 0.84 IGF1R (0.43) IGF1RCDK2CDK4CCNA2CCND3
SCHEMBL6088186 0.83 CDK4 (0.55) IGF1RCDK2CDK4CCNA2CCND3
SCHEMBL6086831 0.83 CDK4 (0.61) CDK2CDK4CCNA2CCND3CCNA1
SCHEMBL6087387 0.81 CDK4 (0.59) CDK2CDK4CCNA2CCND3AURKA
SCHEMBL6086471 0.80 SYK (0.56) IGF1RCDK2CDK4CCNA2CCND3
SCHEMBL6087802 0.79 IGF1R (0.57) IGF1RCDK2CDK4CCNA2CCND3
SCHEMBL7475594 0.79 CDK2 (0.45) IGF1RCDK2CDK4CCNA2CCND3

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