SCHEMBL6177151

SCHEMBL6177151

COCC(=O)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.70
ALDH1A1 P00352 2/20 0.48
MAPK13 O15264 4/20 0.44
MAPK12 P53778 4/20 0.44
MAPK11 Q15759 4/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX5 P09917 1/20 0.43
GCGR P47871 1/20 0.43
GSK3B P49841 2/20 0.42

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
SCHEMBL7138234 0.89 MAPK14 (0.67) MAPK14ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL7134689 0.89 MAPK14 (0.67) MAPK14ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL6178365 0.88 MAPK14 (0.72) MAPK14ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL6177919 0.87 MAPK14 (0.74) MAPK14ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL7138375 0.87 MAPK14 (0.74) MAPK14ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL6178931 0.86 MAPK14 (0.70) MAPK14ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL6176847 0.85 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11CYP1A2
SCHEMBL6178024 0.85 MAPK14 (0.69) MAPK14ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL6177710 0.85 MAPK14 (0.78) MAPK14ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL6180514 0.85 MAPK14 (0.89) MAPK14ALDH1A1MAPK13MAPK12MAPK11

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