SCHEMBL6181407

SCHEMBL6181407

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

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.58
AAK1 Q2M2I8 3/20 0.56
CIT O14578 8/20 0.43
LARS1 Q9P2J5 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
GPR142 Q7Z601 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
SCHEMBL27545016 1.00 MAPK14 (0.58) MAPK14AAK1CITLARS1MAPK13
Hydrochloric Acid SCHEMBL27545007 0.87 MAPK14 (0.60) MAPK14AAK1MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL6177983 0.87 MAPK14 (0.60) MAPK14AAK1MAPK13MAPK12MAPK11
SCHEMBL6176087 0.86 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL6177211 0.85 MAPK14 (0.58) MAPK14AAK1CITMAPK13MAPK12
Hydrochloric Acid SCHEMBL27577373 0.85 MAPK14 (0.58) MAPK14AAK1CITMAPK13MAPK12
SCHEMBL7132730 0.83 MAPK14 (0.58) MAPK14CITGPR142
SCHEMBL27577377 0.83 MAPK14 (0.58) MAPK14CITGPR142
SCHEMBL6178024 0.83 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6175641 0.82 MAPK14 (0.54) MAPK14AAK1MAPK13MAPK12MAPK11

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