SCHEMBL6177480

SCHEMBL6177480

Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.46
BRAF P15056 2/20 0.46
KDR P35968 2/20 0.46
MAPK14 Q16539 5/20 0.45
P2RX7 Q99572 3/20 0.39
RIPK2 O43353 2/20 0.38
EGFR P00533 1/20 0.38
TNK2 Q07912 1/20 0.38
PTK6 Q13882 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 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
SCHEMBL6176783 0.89 MAPK14 (0.50) SRCBRAFKDRMAPK14P2RX7
SCHEMBL4330915 0.88 MAPK14 (0.48) SRCBRAFKDRMAPK14P2RX7
SCHEMBL6178635 0.87 MAPK14 (0.48) SRCBRAFKDRMAPK14P2RX7
SCHEMBL6178911 0.87 MAPK14 (0.48) SRCBRAFKDRMAPK14P2RX7
SCHEMBL6177522 0.87 MAPK14 (0.50) SRCBRAFKDRMAPK14P2RX7
SCHEMBL6179322 0.85 MAPK14 (0.54) SRCBRAFKDRMAPK14ALDH1A1
SCHEMBL6176462 0.84 MAPK14 (0.46) SRCBRAFKDRMAPK14P2RX7
SCHEMBL6176304 0.84 MAPK14 (0.46) SRCBRAFKDRMAPK14P2RX7
SCHEMBL6178119 0.84 MAPK14 (0.52) SRCBRAFKDRMAPK14ALDH1A1
SCHEMBL4338017 0.84 MAPK14 (0.55) MAPK14EGFRKDM4ERAB9AMAPK11

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