SCHEMBL27744883

SCHEMBL27744883

NCc1cc(-c2noc(N)c2-c2ccncc2)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.56
MLYCD O95822 4/20 0.48
HSP90AA1 P07900 1/20 0.40
MAPK9 P45984 2/20 0.40
MAPK10 P53779 2/20 0.40
MAPK11 Q15759 1/20 0.40
PTGS1 P23219 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BRAF P15056 3/20 0.37
CSNK1D P48730 1/20 0.35
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
NQO2 P16083 1/20 0.34
RIPK2 O43353 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL27765848 0.85 MAPK14 (0.63) MAPK14MLYCDMAPK9MAPK10MAPK11
SCHEMBL4335666 0.83 MAPK14 (0.59) MAPK14MLYCDHSP90AA1MAPK9MAPK10
SCHEMBL27765856 0.82 MAPK14 (0.63) MAPK14MLYCDMAPK9MAPK10MAPK11
SCHEMBL4340388 0.82 MAPK14 (0.66) MAPK14MLYCDHSP90AA1MAPK9MAPK10
SCHEMBL4329365 0.79 MAPK14 (0.66) MAPK14MLYCDHSP90AA1MAPK9MAPK10
SCHEMBL27765845 0.78 MAPK14 (0.68) MAPK14MLYCDMAPK9MAPK10MAPK11
SCHEMBL4336972 0.78 MAPK14 (0.63) MAPK14MLYCDHSP90AA1MAPK9MAPK10
SCHEMBL2038477 0.77 P2RX7 (0.45) KDM4EALDH1A1CYP3A4HPGDALOX15
SCHEMBL27744921 0.76 MAPK14 (0.55) MAPK14MLYCDMAPK9MAPK10MAPK11
SCHEMBL27765828 0.75 MAPK14 (0.52) MAPK14MLYCDHSP90AA1MAPK9MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101472921-B Pyridylisoxazole derivative ASKA PHARM CO LTD 2012-10-10 CN disclosed
CN-101472921-A Pyridylisoxazole derivative ASKA PHARM CO LTD (JP) 2009-07-01 CN disclosed