SCHEMBL7590690

SCHEMBL7590690

C[C@H](Nc1nccc(-n2cc(C(=O)O)nc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.52
MAPK13 O15264 10/20 0.52
MAPK12 P53778 10/20 0.52
MAPK11 Q15759 10/20 0.52
MAPK9 P45984 3/20 0.51
IDH1 O75874 4/20 0.48
LCK P06239 3/20 0.47
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46

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
SCHEMBL7590696 1.00 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7528721 0.91 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7665202 0.90 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7665192 0.90 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7664862 0.88 LCK (0.54) IDH1LCK
SCHEMBL7664856 0.88 LCK (0.54) IDH1LCK
SCHEMBL7671470 0.86 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7686135 0.85 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7667059 0.82 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7671628 0.82 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11MAPK9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492516-B1 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF WHICH EXHIBIT UTILITY FOR THE TREATMENT OF CYTOKINE MEDIATED DISEASES SUCH AS ARTHRITIS. MERCK & CO., INC. 2002-12-10 US disclosed
EP-1180101-A4 COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2002-08-28 EP disclosed
EP-1180101-A1 COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY Merck & Co., Inc. (US) 2002-02-20 EP disclosed
WO-2000069848-A1 COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 2000-11-23 WO disclosed