SCHEMBL17845765

SCHEMBL17845765

CCNC(C)c1ccnc(Cl)n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
TRPV3 Q8NET8 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL22652026 0.80 MAPK9 (0.35) MAPK9MAPK10
SCHEMBL22576353 0.78 MAPK9 (0.36) MAPK9MAPK10
SCHEMBL12845661 0.76 KDM4C (0.38) SIGMAR1
SCHEMBL558541 0.75 MAPK9 (0.39) MAPK9MAPK10
SCHEMBL4564037 0.74 MAPK9 (0.34) MAPK9MAPK10
SCHEMBL27523149 0.74 MAPK9 (0.38) MAPK9MAPK10
SCHEMBL24369084 0.72 MAPK9 (0.33) MAPK9MAPK10
SCHEMBL5671975 0.72 KCNA5 (0.35) MAPK9MAPK10
SCHEMBL22065924 0.72 MAPK9 (0.37) MAPK9MAPK10
SCHEMBL2018148 0.72 MAPK9 (0.37) MAPK9MAPK10

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-2016095205-A1 HETEROARYL OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed