SCHEMBL6175641

SCHEMBL6175641

N=C(N)NCCC[C@H](N)C(=O)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.54
GPR142 Q7Z601 1/20 0.38
CDC7 O00311 1/20 0.36
MAPK13 O15264 3/20 0.36
MAPK12 P53778 3/20 0.36
MAPK11 Q15759 3/20 0.36
AAK1 Q2M2I8 1/20 0.35
ALOX5 P09917 2/20 0.35
NPY4R P50391 2/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
NPY5R Q15761 1/20 0.33

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
SCHEMBL6175659 1.00 MAPK14 (0.54) MAPK14GPR142CDC7MAPK13MAPK12
SCHEMBL6181407 0.82 MAPK14 (0.58) MAPK14GPR142MAPK13MAPK12MAPK11
SCHEMBL27545016 0.82 MAPK14 (0.58) MAPK14GPR142MAPK13MAPK12MAPK11
SCHEMBL7132730 0.79 MAPK14 (0.58) MAPK14GPR142
SCHEMBL27577377 0.79 MAPK14 (0.58) MAPK14GPR142
Hydrochloric Acid SCHEMBL6177983 0.79 MAPK14 (0.60) MAPK14CDC7MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL27545007 0.79 MAPK14 (0.60) MAPK14CDC7MAPK13MAPK12MAPK11
SCHEMBL6076504 0.78 MAPK14 (0.67) MAPK14CDC7MAPK13MAPK12MAPK11
SCHEMBL6176087 0.78 MAPK14 (0.63) MAPK14CDC7MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL6177211 0.77 MAPK14 (0.58) MAPK14CDC7MAPK13MAPK12MAPK11

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