SCHEMBL6175294

SCHEMBL6175294

O=C(CCc1ccccc1)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.81
LMNA P02545 2/20 0.50
HCAR2 Q8TDS4 1/20 0.46
MAPK13 O15264 2/20 0.45
MAPK12 P53778 2/20 0.45
MAPK11 Q15759 2/20 0.45
GCGR P47871 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
EPHX2 P34913 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
KDM6B O15054 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
EGLN3 Q9H6Z9 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 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
SCHEMBL6177123 0.94 MAPK14 (0.78) MAPK14LMNAMAPK13MAPK12MAPK11
SCHEMBL6177800 0.89 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11POLB
SCHEMBL6177992 0.87 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7138257 0.87 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6178511 0.86 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7137877 0.86 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7140075 0.85 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL27565189 0.84 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6177360 0.84 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6176847 0.84 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1326848-C Aminopyrazole derivatives TEIKOKU HORMONE MFG CO LTD (JP) 2007-07-18 CN disclosed
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
CN-1331688-A Aminopyridine Derivatives TEIKOKU HORMONE MFG CO LTD (JP) 2002-01-16 CN disclosed
EP-1142890-A1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-10-10 EP disclosed