SCHEMBL6180300

SCHEMBL6180300

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

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.67
MAPK11 Q15759 5/20 0.57
MAPK13 O15264 4/20 0.57
MAPK12 P53778 4/20 0.57
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.47
KCNH2 Q12809 1/20 0.43
CCNE2 O96020 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDC7 O00311 1/20 0.41
ALOX5 P09917 1/20 0.41
GCGR P47871 1/20 0.41

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
SCHEMBL7141123 0.90 MAPK14 (0.64) MAPK14MAPK11MAPK13MAPK12LMNA
SCHEMBL6076824 0.88 MAPK14 (0.64) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL6076504 0.87 MAPK14 (0.67) MAPK14MAPK11MAPK13MAPK12CDK2
SCHEMBL7132751 0.87 MAPK14 (0.64) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL6178365 0.86 MAPK14 (0.72) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6176087 0.86 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL6177501 0.86 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK12CDC7
SCHEMBL7139723 0.86 MAPK14 (0.65) MAPK14MAPK11MAPK13MAPK12CDK2
SCHEMBL6176847 0.86 MAPK14 (0.69) MAPK14MAPK11MAPK13MAPK12CDC7
SCHEMBL7141128 0.85 MAPK14 (0.62) MAPK14MAPK11MAPK13MAPK12ALOX5

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