SCHEMBL27744893

SCHEMBL27744893

NCc1cccc(CCC(=O)Nc2onc(-c3cccc(CN)c3)c2-c2ccncc2)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.63
LMNA P02545 1/20 0.40
MLYCD O95822 1/20 0.38
CFD P00746 2/20 0.38
HSP90AA1 P07900 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
MAPK11 Q15759 1/20 0.36
GLS O94925 1/20 0.36

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
SCHEMBL27744865 0.95 MAPK14 (0.71) MAPK14LMNACFD
SCHEMBL27765847 0.91 MAPK14 (0.59) MAPK14LMNAMLYCDCFD
SCHEMBL27744911 0.89 MAPK14 (0.63) MAPK14LMNAMLYCDHSP90AA1MAPK9
SCHEMBL27765831 0.87 MAPK14 (0.60) MAPK14LMNAMLYCDHSP90AA1MAPK9
SCHEMBL27765846 0.87 MAPK14 (0.70) MAPK14CFDGLS
SCHEMBL27765823 0.87 MAPK14 (0.80) MAPK14LMNAMLYCD
SCHEMBL4332789 0.86 MAPK14 (0.63) MAPK14LMNAMLYCD
SCHEMBL27834750 0.84 MAPK14 (0.59) MAPK14LMNACFDMAPK9MAPK10
SCHEMBL4329415 0.83 MAPK14 (0.71) MAPK14LMNA
SCHEMBL4334980 0.83 MAPK14 (0.88) MAPK14LMNAMLYCD

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