SCHEMBL20145684

SCHEMBL20145684

CC(C)(CCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C)OC(=O)c1ccc(-c2cc(Br)cnc2N)cc1F

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 18/20 0.36
PDGFRB P09619 2/20 0.34
KDR P35968 2/20 0.34

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
SCHEMBL16680214 0.78 MAPK1 (0.42) MAPK1
SCHEMBL16679349 0.73 PDGFRB (0.52) MAPK1PDGFRBKDR
SCHEMBL16679304 0.73 MAPK1 (0.46) MAPK1PDGFRBKDR
SCHEMBL16680010 0.68 PDGFRB (0.57) MAPK1PDGFRBKDR
SCHEMBL16680919 0.68 MAPK1 (0.47) MAPK1
SCHEMBL28257965 0.64 MAPK1 (0.42) MAPK1
SCHEMBL16679329 0.63 MAPK1 (0.43) MAPK1
SCHEMBL21264382 0.63 MAPK1 (0.50) MAPK1
SCHEMBL16680600 0.63 MAPK1 (0.50) MAPK1
SCHEMBL16680392 0.63 MAPK1 (0.50) MAPK1

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-3063143-B1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-05-16 EP disclosed