SCHEMBL27744892

SCHEMBL27744892

COc1cccc(-c2noc(NC(=O)Cc3ccccc3)c2-c2ccncc2)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.66
ROCK1 Q13464 8/20 0.54
PRKACA P17612 7/20 0.54
CYP3A4 P08684 3/20 0.52
USP2 O75604 1/20 0.51
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RIOK2 Q9BVS4 1/20 0.48
WNT3A P56704 1/20 0.47

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
SCHEMBL4335365 0.89 MAPK14 (0.76) MAPK14MAPT
SCHEMBL1877952 0.89 MAPK14 (0.68) MAPK14ROCK1PRKACACYP3A4USP2
SCHEMBL4332791 0.88 MAPK14 (0.66) MAPK14ROCK1
SCHEMBL4335680 0.87 MAPK14 (0.70) MAPK14KMT2AHSD17B10WNT3A
SCHEMBL4335472 0.86 MAPK14 (0.69) MAPK14USP2MAPTKMT2ANPSR1
SCHEMBL4332734 0.85 MAPK14 (0.87) MAPK14ROCK1PRKACAMAPTHSD17B10
SCHEMBL4338156 0.85 MAPK14 (0.65) MAPK14ROCK1PRKACACYP3A4
SCHEMBL4341338 0.85 MAPK14 (0.70) MAPK14ROCK1PRKACACYP3A4USP2
SCHEMBL27765846 0.85 MAPK14 (0.70) MAPK14ROCK1PRKACAHSD17B10WNT3A
SCHEMBL4341525 0.85 MAPK14 (0.67) MAPK14ROCK1PRKACAUSP2MAPT

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
CN-101472921-A Pyridylisoxazole derivative ASKA PHARM CO LTD (JP) 2009-07-01 CN disclosed