SCHEMBL7215967

SCHEMBL7215967

CC[C@@]1(Nc2nccc(-c3cc(N4CCC(NC(=O)OC(C)(C)C)CC4)nnc3-c3cccc(C(F)(F)F)c3)n2)C=CC=CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 9/20 0.49
MAPK12 P53778 9/20 0.49
MAPK11 Q15759 9/20 0.49
MAPK14 Q16539 9/20 0.49
MAPK9 P45984 1/20 0.46
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
SYK P43405 2/20 0.40
SCN9A Q15858 1/20 0.36
SUV39H2 Q9H5I1 2/20 0.34
CNR1 P21554 1/20 0.33
BTK Q06187 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33

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
Hydrochloric Acid SCHEMBL7221790 0.86 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14MAPK9
Hydrochloric Acid SCHEMBL7215096 0.83 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL7215965 0.83 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL7215964 0.81 MAPK14 (0.75) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL7215842 0.77 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14MAPK9
Hydrochloric Acid SCHEMBL7221787 0.67 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL14523454 0.66 CNR1 (0.60) CKS1BSKP1SKP2SYKSCN9A
Hydrochloric Acid SCHEMBL7221781 0.66 MAPK14 (0.86) MAPK13MAPK12MAPK11MAPK14MAPK9
Hydrochloric Acid SCHEMBL7215094 0.64 MAPK13 (0.70) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL22686084 0.64 CKS1B (0.58) CKS1BSKP1SKP2SUV39H2

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