SCHEMBL6978882

SCHEMBL6978882

CSc1sc(C(N)=O)c(C(C)C)c1-c1oncc1C

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.55
CDK8 P49336 6/20 0.55
CDK19 Q9BWU1 6/20 0.55
CDK9 P50750 1/20 0.39
GAA P10253 1/20 0.32

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
SCHEMBL6978646 0.85 CCNC (0.59) CCNCCDK8CDK19CDK9GAA
SCHEMBL6976237 0.81 CCNC (0.55) CCNCCDK8CDK19CDK9GAA
SCHEMBL6977569 0.79 CCNC (0.53) CCNCCDK8CDK19CDK9GAA
SCHEMBL6980131 0.79 CCNC (0.55) CCNCCDK8CDK19CDK9GAA
SCHEMBL6975855 0.77 CCNC (0.45) CCNCCDK8CDK19CDK9
SCHEMBL6965992 0.76 CCNC (0.48) CCNCCDK8CDK19CDK9GAA
SCHEMBL7700630 0.74 CCNC (0.47) CCNCCDK8CDK19CDK9GAA
SCHEMBL6967359 0.72 CCNC (0.56) CCNCCDK8CDK19CDK9GAA
SCHEMBL6974246 0.72 CCNC (0.45) CCNCCDK8CDK19CDK9
SCHEMBL7248663 0.71 CCNC (0.86) CCNCCDK8CDK19CDK9GAA

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-1120415-B1 SUBSTITUTED ISOXAZOLYLTHIOPHENE COMPOUNDS TAISHO PHARMACEUTICAL CO LTD (JP) 2003-07-23 EP disclosed
US-6355663-B1 AN ENHANCING AGENT FOR THE ACTION OF CELL DIFFERENTIATION INDUCTION FACTORS FOR BONE DISORDERS AND NERVOUS SYSTEM DISORDERS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2002-03-12 US disclosed
EP-1120415-A1 SUBSTITUTED ISOXAZOLYLTHIOPHENE COMPOUNDS TAISHO PHARMACEUTICAL CO., LTD (JP) 2001-08-01 EP disclosed