SCHEMBL13069005

SCHEMBL13069005

CC(C)Oc1c(C#N)cnc2ccc(/C=C3\SC(NCCc4cccc(F)c4)=NC3=O)nc12

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 1/20 0.36
CSNK2A2 P19784 2/20 0.32
CSNK2A1 P68400 2/20 0.32
RPS6KB1 P23443 1/20 0.30
AKT1 P31749 1/20 0.30

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
SCHEMBL3372704 1.00 CISD1 (0.36) CISD1CSNK2A2CSNK2A1RPS6KB1AKT1
SCHEMBL3372738 1.00 CISD1 (0.36) CISD1CSNK2A2CSNK2A1RPS6KB1AKT1
SCHEMBL3373984 0.84 CISD1 (0.40) CISD1CSNK2A2CSNK2A1
SCHEMBL3373989 0.84 CISD1 (0.40) CISD1CSNK2A2CSNK2A1
SCHEMBL3372749 0.83 CISD1 (0.33) CISD1
SCHEMBL13069455 0.83 CISD1 (0.33) CISD1
SCHEMBL3375241 0.83 CISD1 (0.33) CISD1
SCHEMBL3373920 0.81 CISD1 (0.37) CISD1CSNK2A2CSNK2A1RPS6KB1AKT1
SCHEMBL14337695 0.81 CISD1 (0.37) CISD1CSNK2A2CSNK2A1RPS6KB1AKT1
SCHEMBL3373659 0.81 CISD1 (0.37) CISD1CSNK2A2CSNK2A1RPS6KB1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869036-B1 SUBSTITUTED 1,5-NAPHTHYRIDINE AZOLIDINONES AS CDK INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-03 EP disclosed
US-7304074-B2 Substituted 1,5-naphthyridine azolinones HOFFMANN-LA ROCHE INC. (US) 2007-12-04 US disclosed
US-7304074-B2 Substituted 1,5-naphthyridine azolinones HOFFMANN-LA ROCHE INC. (US) 2007-12-04 US disclosed