SCHEMBL6087777

SCHEMBL6087777

COc1ccc2cnc(Nc3ccccc3)nc2c1C1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 1.00
CCND1 P24385 19/20 1.00
CDK2 P24941 14/20 1.00
CCNE1 P24864 13/20 1.00
CDK1 P06493 11/20 1.00
CCNB1 P14635 11/20 1.00
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
FGFR1 P11362 1/20 0.46
CCNA2 P20248 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR4 P22455 1/20 0.46
FGFR3 P22607 1/20 0.46
CCND2 P30279 1/20 0.46
CCND3 P30281 1/20 0.46

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
SCHEMBL6087301 0.89 CDK4 (0.81) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6088024 0.85 CDK4 (1.00) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087349 0.84 CDK4 (1.00) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087962 0.83 CDK4 (0.73) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6086527 0.82 CDK4 (1.00) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087195 0.82 CDK4 (0.69) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087555 0.82 CDK4 (0.87) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6089093 0.82 CDK4 (0.69) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087333 0.81 CDK4 (1.00) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6088660 0.81 CDK4 (0.67) CDK4CCND1CDK2CCNE1CDK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982260-B1 Quinazolines and their use for inhibiting cyclin-dependent kinase enzymes WARNER-LAMBERT COMPANY (US) 2006-01-03 US claimed
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