SCHEMBL5828693

SCHEMBL5828693

COC(=O)CCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.61
MAPK11 Q15759 8/20 0.56
MAPK13 O15264 3/20 0.56
MAPK12 P53778 3/20 0.56
KCNH2 Q12809 1/20 0.45
ALOX5 P09917 2/20 0.43
GCGR P47871 1/20 0.43
HTR3A P46098 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
SCHEMBL5260149 0.86 MAPK14 (0.69) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL5258301 0.86 MAPK14 (0.66) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL14411717 0.82 MAPK14 (0.65) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL14521854 0.81 MAPK14 (0.67) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL14521895 0.80 MAPK14 (0.70) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL14521804 0.79 MAPK14 (0.72) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL14411554 0.79 MAPK14 (0.65) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL14411792 0.78 MAPK14 (0.70) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL6331135 0.78 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL14411238 0.78 MAPK14 (0.51) MAPK14MAPK11MAPK13MAPK12KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153959-B2 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION (US) 2006-12-26 US disclosed
US-7071198-B1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION (US) 2006-07-04 US disclosed
US-6979686-B1 Substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION (US) 2005-12-27 US disclosed
US-6617324-B1 Phenyl, cyclohexyl and pyridinyl or pyrimidinyl-substituted G. D. SEARLE & COMPANY 2003-09-09 US disclosed
US-6525059-B1 Mitogen-activated protein kinases (MAP); G. D. SEARLE & COMPANY 2003-02-25 US disclosed
US-6514977-B1 For treating p38 kinase mediated disorders G.D. SEARLE & COMPANY 2003-02-04 US disclosed
US-6423713-B1 Substituted pyrazoles as p38 kinase inhibitors G. D. SEARLE & COMPANY 2002-07-23 US disclosed