SCHEMBL6178708

SCHEMBL6178708

Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)C(Cl)c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.46
BRAF P15056 3/20 0.46
KDR P35968 3/20 0.46
MAPK14 Q16539 8/20 0.41
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
RIPK2 O43353 2/20 0.38
LMNA P02545 2/20 0.38
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX5 P09917 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL6177486 0.88 SRC (0.51) SRCBRAFKDRMAPK14MAPT
SCHEMBL4334128 0.84 MAPK14 (0.47) SRCBRAFKDRMAPK14MAPT
SCHEMBL6176790 0.81 MAPK14 (0.52) SRCBRAFKDRMAPK14MAPT
SCHEMBL6177480 0.80 SRC (0.46) SRCBRAFKDRMAPK14MAPT
SCHEMBL4336966 0.79 MAPK14 (0.47) SRCBRAFKDRMAPK14MAPT
SCHEMBL4330919 0.79 MAPK14 (0.48) SRCBRAFKDRMAPK14MAPT
SCHEMBL6176926 0.79 MAPK14 (0.43) SRCBRAFKDRMAPK14MAPT
SCHEMBL4338023 0.78 MAPK14 (0.49) SRCBRAFKDRMAPK14MAPT
SCHEMBL6178643 0.77 MAPK14 (0.48) SRCBRAFKDRMAPK14MAPT
SCHEMBL6178919 0.77 MAPK14 (0.48) SRCBRAFKDRMAPK14MAPT

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 3 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
US-6511997-B1 For treatment of a disease associated with tumor necrosis factor alpha, interleukin 1, interleukin 6 or cyclooxygenase II; such as irritable bowel disease TEIKOKU HORMONE MFG. CO., LTD. (JP) 2003-01-28 US disclosed
EP-1142890-A1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-10-10 EP disclosed