SCHEMBL7215839

SCHEMBL7215839

CN(C)c1cc(-c2ccnc(NCCc3ccccc3)n2)c(-c2cccc(C(F)(F)F)c2)nn1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.69
MAPK13 O15264 10/20 0.69
MAPK12 P53778 10/20 0.69
MAPK11 Q15759 10/20 0.69
MAPK9 P45984 2/20 0.47
CCNT1 O60563 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
MAPT P10636 2/20 0.42
GSK3B P49841 2/20 0.41
HTR7 P34969 1/20 0.39
CTSC P53634 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
Hydrazine SCHEMBL7215381 0.84 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11MAPK9
Hydrochloric Acid SCHEMBL7221013 0.83 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL13738144 0.81 MAPK13 (0.70) MAPK14MAPK13MAPK12MAPK11MAPK9
Hydrochloric Acid SCHEMBL7215094 0.80 MAPK13 (0.70) MAPK14MAPK13MAPK12MAPK11MAPK9
Hydrochloric Acid SCHEMBL7221787 0.79 MAPK13 (0.61) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5914257 0.78 MAPT (0.45) MAPK14MAPK13MAPK12MAPK11CCNT1
SCHEMBL7215842 0.77 MAPK13 (0.59) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7215845 0.77 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7215386 0.75 MAPK11 (0.61) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7215965 0.74 MAPK13 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602872-B1 Substituted pyridazines having cytokine inhibitory activity MERCK & CO., INC. 2003-08-05 US disclosed