SCHEMBL4730134

SCHEMBL4730134

COc1c(F)cc(N2CCOCC2)cc1C(=O)Nc1cnc(C)c(-c2ccc(C(=O)NCc3cccnc3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 16/20 0.49
BRAF P15056 15/20 0.49
MAPK1 P28482 1/20 0.44
MAPK14 Q16539 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL4727303 0.86 MAPK14 (0.52) RAF1BRAFMAPK1MAPK14MAPT
SCHEMBL4727153 0.86 RAF1 (0.51) RAF1BRAF
SCHEMBL4730137 0.85 RAF1 (0.49) RAF1BRAF
SCHEMBL4847527 0.82 RAF1 (0.47) RAF1BRAFMAPK14
SCHEMBL4726031 0.82 RAF1 (0.49) RAF1BRAFMAPK1MAPK14MAPT
SCHEMBL4783505 0.79 MAPK14 (0.49) RAF1BRAFMAPK14
SCHEMBL4727293 0.79 RAF1 (0.55) RAF1BRAFMAPK14
SCHEMBL4781713 0.78 MAPK14 (0.53) RAF1BRAFMAPK14
SCHEMBL4728270 0.78 MAPK14 (0.51) RAF1BRAFMAPK14
SCHEMBL4847531 0.77 RAF1 (0.47) RAF1BRAF

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-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed