SCHEMBL6176508

SCHEMBL6176508

Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.52
KDM4E B2RXH2 1/20 0.48
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.43
ANO1 Q5XXA6 2/20 0.42
PTGS2 P35354 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40

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
SCHEMBL13785079 0.89 MAPK14 (0.54) MAPK14KDM4EMAPTLMNACSNK1D
SCHEMBL4329813 0.89 MAPK14 (0.56) MAPK14KDM4ECSNK1DCSNK1E
SCHEMBL6178426 0.89 MAPK14 (0.56) MAPK14KDM4EMAPTCSNK1DCSNK1E
SCHEMBL6176476 0.88 KDM4E (0.47) MAPK14KDM4EMAPTCSNK1DCSNK1E
SCHEMBL4338017 0.88 MAPK14 (0.55) MAPK14KDM4EMAPK11CSNK1DCSNK1E
SCHEMBL6179743 0.88 MAPK14 (0.55) MAPK14KDM4EMAPTLMNACSNK1D
SCHEMBL4329196 0.88 MAPK14 (0.55) MAPK14KDM4ECSNK1DCSNK1E
SCHEMBL4338463 0.87 MAPK14 (0.54) MAPK14KDM4EMAPTCSNK1DCSNK1E
SCHEMBL4339530 0.86 MAPK14 (0.53) MAPK14MAPTCSNK1D
SCHEMBL7134239 0.85 MAPK14 (0.52) MAPK14KDM4EMAPK13MAPK12MAPK11

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