SCHEMBL6087469

SCHEMBL6087469

COC1=CCc2cnc(Nc3ccc(N4CCCC4)cc3)nc2C1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.51
CCND1 P24385 8/20 0.51
CCNE1 P24864 5/20 0.50
CDK2 P24941 5/20 0.50
EGFR P00533 4/20 0.46
KDR P35968 1/20 0.46
BRD4 O60885 6/20 0.44
CDK1 P06493 4/20 0.44
CCNB1 P14635 4/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
NR4A1 P22736 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL6089773 0.92 CDK4 (0.53) CDK4CCND1CCNE1CDK2EGFR
SCHEMBL6086302 0.88 CDK4 (0.56) CDK4CCND1CCNE1CDK2
SCHEMBL6087731 0.88 EGFR (0.44) CDK4CCND1CCNE1CDK2EGFR
SCHEMBL6087018 0.87 CDK4 (0.56) CDK4CCND1CCNE1CDK2EGFR
SCHEMBL7472695 0.87 EGFR (0.42) CDK4CCND1CCNE1CDK2EGFR
SCHEMBL6087809 0.86 SYK (0.51) CDK4CCND1CCNE1CDK2EGFR
SCHEMBL7463398 0.86 EGFR (0.42) CDK4CCND1CCNE1CDK2EGFR
SCHEMBL6090969 0.86 CDK4 (0.46) CDK4CCND1CCNE1CDK2EGFR
SCHEMBL7473002 0.85 EGFR (0.43) CDK4CCND1CCNE1CDK2EGFR
SCHEMBL6087447 0.85 CDK2 (0.58) CDK4CCND1CCNE1CDK2CDK1

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