SCHEMBL8335335

SCHEMBL8335335

CCOC(=O)c1cc(-c2csc(-c3ccnc(CC)c3)n2)c(=O)[nH]c1C

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 18/20 0.81
CDK5R1 Q15078 18/20 0.81
SREBF1 P36956 1/20 0.52
SREBF2 Q12772 1/20 0.52
CDC7 O00311 1/20 0.52
DBF4 Q9UBU7 1/20 0.52

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
SCHEMBL5901589 0.90 CDK5 (1.00) CDK5CDK5R1CDC7DBF4
SCHEMBL5902520 0.90 CDK5 (1.00) CDK5CDK5R1
SCHEMBL5901436 0.89 CDK5 (0.81) CDK5CDK5R1
SCHEMBL5901418 0.88 CDK5 (1.00) CDK5CDK5R1
SCHEMBL5902249 0.88 CDK5 (0.81) CDK5CDK5R1
SCHEMBL5902427 0.86 CDK5 (0.85) CDK5CDK5R1
SCHEMBL5901946 0.85 CDK5 (0.76) CDK5CDK5R1
SCHEMBL5902548 0.85 CDK5 (0.75) CDK5CDK5R1
SCHEMBL5902209 0.85 CDK5 (1.00) CDK5CDK5R1
SCHEMBL5901558 0.84 CDK5 (0.81) CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004060890-A1 2-OXOPYRIDIN-3-YL THIA (DI) AZOLE DERIVATES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES AMGEN INC. (US) 2004-07-22 WO disclosed