SCHEMBL27905830

SCHEMBL27905830

CC(=O)Nc1cc(-c2nc(N=[N+]=NC(=O)c3ccccc3)c(-c3ncc[nH]3)s2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP5K1C O60331 1/20 0.40
PIK3CA P42336 1/20 0.40
MAPK14 Q16539 12/20 0.39
PIK3C3 Q8NEB9 5/20 0.39
MAPK8 P45983 2/20 0.38
MAPK9 P45984 2/20 0.38
MAPK10 P53779 1/20 0.38
IKBKB O14920 1/20 0.36
MAPK13 O15264 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
EGFR P00533 1/20 0.36
MAPK1 P28482 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
FRK P42685 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
MAPK12 P53778 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
SCHEMBL625542 0.80 MAPK14 (0.47) PIP5K1CPIK3CAMAPK14PIK3C3MAPK8
SCHEMBL952377 0.80 MAPK14 (0.48) PIP5K1CPIK3CAMAPK14PIK3C3MAPK8
SCHEMBL954285 0.77 PIK3C3 (0.49) PIP5K1CPIK3CAMAPK14PIK3C3
SCHEMBL6845074 0.77 PIK3C3 (0.49) PIP5K1CPIK3CAMAPK14PIK3C3
SCHEMBL626764 0.77 MAPK14 (0.44) PIP5K1CPIK3CAMAPK14PIK3C3
SCHEMBL6842871 0.77 PIK3C3 (0.48) PIP5K1CPIK3CAMAPK14PIK3C3
SCHEMBL6842841 0.75 PIK3C3 (0.47) MAPK14PIK3C3MAPK13MAPK12MAPK11
SCHEMBL6845017 0.75 MAPK14 (0.49) PIP5K1CPIK3CAMAPK14PIK3C3MAPK8
SCHEMBL6842853 0.75 MAPK14 (0.61) MAPK14PIK3C3MAPK8MAPK9IKBKB
SCHEMBL6842872 0.75 MAPK14 (0.45) PIP5K1CPIK3CAMAPK14PIK3C3

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-103153300-A Heteroaryls and uses thereof MILLENNIUM PHARM INC 2013-06-12 CN disclosed