SCHEMBL6179977

SCHEMBL6179977

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 1.00
MAPK1 P28482 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RPS6KA3 P51812 1/20 0.53
MAPK13 O15264 3/20 0.51
MAPK12 P53778 3/20 0.51
MAPK11 Q15759 3/20 0.51
ILK Q13418 1/20 0.49

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
SCHEMBL6076585 1.00 MAPK14 (1.00) MAPK14MAPK1NPSR1RPS6KA3MAPK13
SCHEMBL6132080 0.85 MAPK1 (0.80) MAPK14MAPK1NPSR1RPS6KA3ILK
SCHEMBL6132067 0.85 MAPK1 (0.80) MAPK14MAPK1NPSR1RPS6KA3ILK
SCHEMBL6132051 0.83 MAPK1 (0.83) MAPK14MAPK1NPSR1RPS6KA3ILK
SCHEMBL5258469 0.82 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11
SCHEMBL14519418 0.82 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11
SCHEMBL14521828 0.82 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11
SCHEMBL28757735 0.81 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11
SCHEMBL14410950 0.81 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5248735 0.81 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11

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