SCHEMBL17534846

SCHEMBL17534846

C=CC(=O)Nc1cc(C)ccc1Nc1nc(Nc2cc(=O)[nH]cc2C)ncc1C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 20/20 0.72
MAPK1 P28482 1/20 0.72

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
SCHEMBL15941413 0.93 MAPK3 (0.72) MAPK3MAPK1
SCHEMBL18256232 0.89 MAPK3 (0.82) MAPK3MAPK1
SCHEMBL15938101 0.85 MAPK3 (0.81) MAPK3MAPK1
SCHEMBL15942121 0.84 MAPK3 (0.71) MAPK3MAPK1
SCHEMBL18256227 0.84 MAPK3 (1.00) MAPK3MAPK1
SCHEMBL29392962 0.84 MAPK3 (1.00) MAPK3MAPK1
SCHEMBL15938533 0.84 MAPK3 (1.00) MAPK3MAPK1
SCHEMBL15937930 0.84 MAPK3 (1.00) MAPK3MAPK1
SCHEMBL17616692 0.83 MAPK3 (0.71) MAPK3MAPK1
SCHEMBL15938379 0.83 MAPK3 (1.00) 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-2016025640-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-02-18 WO disclosed