SCHEMBL18256256

SCHEMBL18256256

COc1cc(Nc2ncc(C(F)(F)F)c(Nc3cc(OC)ncc3C)n2)c(C)cn1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 16/20 0.70
MAPK1 P28482 1/20 0.69
ULK1 O75385 1/20 0.54
LRRK2 Q5S007 3/20 0.52

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
SCHEMBL17533879 0.93 MAPK3 (0.62) MAPK3MAPK1LRRK2
SCHEMBL18256234 0.92 MAPK3 (0.72) MAPK3MAPK1ULK1LRRK2
SCHEMBL15948438 0.89 MAPK3 (0.69) MAPK3MAPK1ULK1
SCHEMBL17533898 0.87 MAPK3 (0.63) MAPK3MAPK1ULK1
SCHEMBL18256214 0.86 MAPK3 (0.58) MAPK3MAPK1ULK1LRRK2
SCHEMBL21009863 0.86 MAPK3 (0.75) MAPK3MAPK1
SCHEMBL19176653 0.85 MAPK3 (0.82) MAPK3MAPK1
SCHEMBL17533925 0.85 MAPK3 (0.66) MAPK3MAPK1
SCHEMBL19217383 0.85 MAPK3 (0.82) MAPK3MAPK1
SCHEMBL19176665 0.84 MAPK3 (0.72) MAPK3MAPK1

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
WO-2016187028-A1 HETEROARYL COMPOUNDS, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO CELGENE AVILOMICS RESEARCH, INC. (US) 2016-11-24 WO disclosed