SCHEMBL5764757

SCHEMBL5764757

CC1CC2C=C(c3c[nH]c(-c4ccc(C(F)(F)F)cc4)c3-c3ccncc3)CCN2C1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 8/20 0.58
MAPK14 Q16539 8/20 0.58
MAPK13 O15264 5/20 0.36
MAPK12 P53778 5/20 0.36
KIF11 P52732 1/20 0.33
GRM2 Q14416 1/20 0.32
RAF1 P04049 1/20 0.31
RIPK3 Q9Y572 1/20 0.30
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30

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
SCHEMBL5763875 0.90 MAPK14 (0.71) MAPK11MAPK14MAPK13MAPK12
SCHEMBL5762518 0.90 MAPK14 (0.71) MAPK11MAPK14MAPK13MAPK12
SCHEMBL5764488 0.90 MAPK14 (0.49) MAPK11MAPK14MAPK13MAPK12RAF1
SCHEMBL5766612 0.89 MAPK14 (0.57) MAPK11MAPK14MAPK13MAPK12
SCHEMBL5764750 0.86 MAPK11 (0.49) MAPK11MAPK14MAPK13MAPK12
SCHEMBL5763268 0.86 MAPK11 (0.55) MAPK11MAPK14MAPK13MAPK12KIF11
SCHEMBL5762860 0.83 MAPK11 (0.56) MAPK11MAPK14MAPK13MAPK12RAF1
SCHEMBL5764383 0.82 MAPK14 (0.50) MAPK11MAPK14MAPK13MAPK12RAF1
SCHEMBL6219555 0.81 MAPK14 (0.62) MAPK11MAPK14RIPK3
SCHEMBL5764827 0.80 MAPK14 (0.50) MAPK11MAPK14MAPK13MAPK12RAF1

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
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP claimed