SCHEMBL5766491

SCHEMBL5766491

FC(F)(F)c1cc(Cl)c2[nH]c(Nc3ccc(OC4=CC=CN5SNC=C45)cc3)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.36
RAF1 P04049 2/20 0.32
BRAF P15056 2/20 0.32
PDE10A Q9Y233 2/20 0.31
CSNK1A1 P48729 1/20 0.31
CSNK1D P48730 1/20 0.31
GSK3B P49841 1/20 0.31
CSNK1G2 P78368 1/20 0.31
TEK Q02763 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
SCHEMBL5457042 0.88 KDR (0.36) KDRRAF1BRAFPDE10ACSNK1A1
SCHEMBL5450929 0.85
SCHEMBL5454087 0.82 RAF1 (0.33) KDRRAF1BRAFPDE10ACSNK1A1
SCHEMBL5453176 0.81 RIPK1 (0.38) KDRRAF1BRAFPDE10ACSNK1A1
SCHEMBL14521447 0.73 POLB (0.41) KDR
SCHEMBL5459692 0.72 KDR (0.31) KDR
SCHEMBL5448421 0.71 TEK (0.37) KDRTEK
SCHEMBL5456884 0.71 NPC1 (0.46) KDRRAF1BRAFTEK
SCHEMBL5450095 0.70 KDR (0.44) KDRRAF1BRAFPDE10ACSNK1A1
SCHEMBL5452232 0.69 TEK (0.30) KDRTEK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656377-A1 AMINOBENZIMIDAZOLE DERIVATIVES MERCK PATENT GmbH (DE) 2006-05-17 EP claimed
WO-2005019216-A1 AMINOBENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2005-03-03 WO claimed