SCHEMBL7665202

SCHEMBL7665202

CCOC(=O)c1cn(-c2ccnc(NC(C)c3ccccc3)n2)c(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.51
MAPK13 O15264 10/20 0.48
MAPK12 P53778 10/20 0.48
MAPK11 Q15759 10/20 0.48
MAPK9 P45984 3/20 0.47
GABRA2 P47869 3/20 0.47
GABRB2 P47870 3/20 0.47
IDH1 O75874 4/20 0.45
LCK P06239 1/20 0.43

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
SCHEMBL7665192 1.00 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7590696 0.90 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7590690 0.90 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7668093 0.89 GABRA2 (0.56) MAPK14GABRA2GABRB2IDH1LCK
SCHEMBL7566543 0.86 GABRA2 (0.48) MAPK9GABRA2GABRB2
SCHEMBL7661360 0.83 GABRA2 (0.45) MAPK9GABRA2GABRB2
SCHEMBL7528721 0.82 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7664658 0.82 MAPK9 (0.61) MAPK9GABRA2GABRB2
SCHEMBL7671470 0.82 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7665100 0.81 GABRA2 (0.45) MAPK9GABRA2GABRB2

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 1 patent. 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