SCHEMBL7215965

SCHEMBL7215965

CC(C)(C)OC(=O)NC1CCN(c2cc(-c3ccnc(NCCc4ccccc4)n3)c(-c3cccc(C(F)(F)F)c3)nn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 0.55
MAPK12 P53778 10/20 0.55
MAPK11 Q15759 10/20 0.55
MAPK14 Q16539 10/20 0.55
MAPK9 P45984 2/20 0.51
CKS1B P61024 2/20 0.47
SKP1 P63208 2/20 0.47
SKP2 Q13309 2/20 0.47
SYK P43405 2/20 0.42
OGA O60502 2/20 0.42
SCN9A Q15858 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.38
HRH2 P25021 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL7215964 0.86 MAPK14 (0.75) MAPK13MAPK12MAPK11MAPK14MAPK9
Hydrochloric Acid SCHEMBL7221787 0.84 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL7215967 0.83 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14MAPK9
Hydrochloric Acid SCHEMBL7215094 0.81 MAPK13 (0.70) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL7215839 0.74 MAPK14 (0.69) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL13738144 0.74 MAPK13 (0.70) MAPK13MAPK12MAPK11MAPK14MAPK9
Hydrochloric Acid SCHEMBL7221013 0.72 MAPK14 (0.53) MAPK13MAPK12MAPK11MAPK14MAPK9
Hydrazine SCHEMBL7215381 0.71 MAPK14 (0.50) MAPK13MAPK12MAPK11MAPK14MAPK9
Hydrochloric Acid SCHEMBL7221781 0.70 MAPK14 (0.86) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL14523454 0.68 CNR1 (0.60) CKS1BSKP1SKP2SYKSCN9A

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