SCHEMBL7560906

SCHEMBL7560906

CC(NC1=CC#CCN1c1cc(C2CCN(C)CC2)nnc1-c1cccc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.48
MAPK11 Q15759 16/20 0.48
MAPK13 O15264 15/20 0.48
MAPK12 P53778 15/20 0.48
MAPK9 P45984 6/20 0.44
RAF1 P04049 3/20 0.44
TRPV4 Q9HBA0 2/20 0.37
ATP1A1 P05023 1/20 0.36
ATP1B1 P05026 1/20 0.36
ATP1A3 P13637 1/20 0.36
ATP1B2 P14415 1/20 0.36
ATP1A2 P50993 1/20 0.36
ATP1B3 P54709 1/20 0.36
FXYD2 P54710 1/20 0.36
ATP1A4 Q13733 1/20 0.36

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
SCHEMBL7699663 0.77 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL7699660 0.77 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL7560872 0.73 MAPK14 (0.72) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL7560881 0.73 MAPK14 (0.72) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL6171143 0.67 MAPK14 (0.84) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL6171137 0.67 MAPK14 (0.84) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL7672894 0.67 MAPK14 (0.62) MAPK14MAPK11MAPK13MAPK12
SCHEMBL5819635 0.67 MAPK13 (0.62) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL7698138 0.65 MAPK14 (0.71) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL17938001 0.65 MAPK14 (1.00) MAPK14MAPK11MAPK13MAPK12MAPK9

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-1131314-A4 COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2002-05-02 EP disclosed
EP-1131314-A1 COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY Merck & Co., Inc. (US) 2001-09-12 EP disclosed
WO-2000031065-A1 COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 2000-06-02 WO disclosed