SCHEMBL20113741

SCHEMBL20113741

COC(=O)c1[nH]c(Cl)nc1C#CC(C)(C)OC

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4C Q9H3R0 1/20 0.30
RAF1 P04049 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
SCHEMBL20113739 0.87 MAPK14 (0.32) MAPK14NPSR1KDM4CRAF1
SCHEMBL20113742 0.87 HAO1 (0.32)
SCHEMBL20114002 0.86
SCHEMBL20113998 0.77 PDE2A (0.37)
SCHEMBL20113740 0.72 NPSR1 (0.39) MAPK14NPSR1KDM4C
SCHEMBL10463619 0.60 NPSR1 (0.50) NPSR1KDM4C
SCHEMBL15730085 0.59 NPSR1 (0.35) MAPK14NPSR1KDM4CRAF1
SCHEMBL14953292 0.56 NPSR1 (0.36) MAPK14NPSR1KDM4CRAF1
SCHEMBL16427401 0.56 TSHR (0.49) MAPK14NPSR1KDM4C
SCHEMBL325330 0.56 HSD17B10 (0.33) MAPK14NPSR1RAF1

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
EP-3009426-B1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMA CO LTD (JP) 2018-05-02 EP disclosed