SCHEMBL6950335

SCHEMBL6950335

CCN(c1ccccc1)c1cc(-c2c(-c3cccc(C(F)(F)F)c3)nc(CCN)n2C)ccn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.40
MAPK13 O15264 7/20 0.40
MAPK12 P53778 7/20 0.40
MAPK11 Q15759 7/20 0.40
MAPK9 P45984 4/20 0.40
RAF1 P04049 2/20 0.40
HRH1 P35367 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
MAOB P27338 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
GAA P10253 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34

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
SCHEMBL6950337 0.78 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6950332 0.77 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7498393 0.77 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7979937 0.73 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7991937 0.70 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7991981 0.70 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7993953 0.69 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7994010 0.67 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7994015 0.67 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7990822 0.67 MAPK14 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1196169-A4 COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2003-04-02 EP disclosed
EP-1196169-A1 COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY Merck & Co., Inc. (US) 2002-04-17 EP disclosed
WO-2001001988-A1 COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 2001-01-11 WO disclosed