SCHEMBL6178434

SCHEMBL6178434

O=C(Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.67
RIPK3 Q9Y572 1/20 0.41
HDAC4 P56524 1/20 0.41
MAPK13 O15264 3/20 0.41
MAPK12 P53778 3/20 0.41
MAPK11 Q15759 3/20 0.41
KLK7 P49862 1/20 0.40
LMNA P02545 1/20 0.39
DCAF1 Q9Y4B6 1/20 0.39

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
SCHEMBL6177632 0.90 MAPK14 (0.66) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL6176683 0.89 MAPK14 (0.65) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL6177380 0.89 MAPK14 (0.65) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL6175326 0.89 MAPK14 (0.65) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL6193980 0.88 MAPK14 (0.63) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL6178135 0.87 MAPK14 (0.64) MAPK14RIPK3LMNA
SCHEMBL6178772 0.86 MAPK14 (0.61) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL6176087 0.84 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6175810 0.83 MAPK14 (0.71) MAPK14
SCHEMBL7170273 0.82 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11LMNA

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