SCHEMBL6179322

SCHEMBL6179322

Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.54
SRC P12931 1/20 0.44
BRAF P15056 1/20 0.44
KDR P35968 1/20 0.44
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 3/20 0.40
PRKACA P17612 1/20 0.40
ROCK1 Q13464 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL6180478 0.88 MAPK14 (0.60) MAPK14MEN1KMT2AMAPTPRKACA
SCHEMBL6177703 0.86 MAPK14 (0.55) MAPK14ALDH1A1MEN1KMT2APRKACA
SCHEMBL6180582 0.86 MAPK14 (0.57) MAPK14SRCBRAFKDRMAPT
SCHEMBL6174869 0.86 MAPK14 (0.57) MAPK14MAPTPRKACAROCK1
SCHEMBL6177480 0.85 SRC (0.46) MAPK14SRCBRAFKDRTHRB
SCHEMBL4343331 0.85 MAPK14 (0.71) MAPK14SRCBRAFKDRMAPT
SCHEMBL6178834 0.84 MAPK14 (0.55) MAPK14SRCBRAFKDRMEN1
SCHEMBL6179169 0.84 MAPK14 (0.63) MAPK14KMT2AGAAMAPTPRKACA
SCHEMBL6176832 0.84 MAPK14 (0.63) MAPK14MAPTPRKACAROCK1
SCHEMBL4337064 0.83 MAPK14 (0.57) MAPK14MAPTPRKACAROCK1

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
EP-1142890-B1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2005-08-03 EP disclosed
EP-1142890-A1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-10-10 EP disclosed