Sugi Predict

Sugi Predict / Compounds / SCHEMBL7465989

SCHEMBL7465989

SCHEMBL7465989

CC(C)c1c(O)ccc2cnc(Nc3ccc(N4CCN(C(=O)C5CCCN5)CC4)cc3)nc12.COc1ccc2cnc(Nc3ccc(N4CCN(C(=O)C5CCCN5)CC4)cc3)nc2c1C(C)C

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 20/20 0.69
▸ CCND1 P24385 20/20 0.69
▸ CCNE1 P24864 16/20 0.69
▸ CDK2 P24941 16/20 0.69
▸ CDK1 P06493 13/20 0.65
▸ CCNB1 P14635 13/20 0.65

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
SCHEMBL6088251 0.96 CDK4 (0.73) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087741 0.94 CDK4 (0.57) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6086227 0.85 CDK4 (0.78) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6086842 0.82 CDK4 (1.00) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6089268 0.81 CDK4 (0.71) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087339 0.80 CDK4 (0.82) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6086425 0.80 CDK4 (0.85) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087863 0.79 CDK4 (0.78) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087690 0.79 CDK4 (1.00) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087587 0.79 CDK4 (1.00) 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 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 claimed
WO-2001038315-A1 QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES WARNER-LAMBERT COMPANY (US) 2001-05-31 — — WO claimed