SCHEMBL5796233

SCHEMBL5796233

COC(=O)Oc1cc2cccc(Oc3ccc(Nc4nc5cc(C(F)(F)F)cc(Cl)c5[nH]4)cc3)c2o1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.36
KDR P35968 5/20 0.36
RAF1 P04049 5/20 0.36
TEK Q02763 4/20 0.36
PTGES O14684 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAPK14 Q16539 1/20 0.33

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
SCHEMBL5454834 0.88 MAPT (0.39) BRAFKDRRAF1TEKPTGES
SCHEMBL5456410 0.80 MAPT (0.39) BRAFKDRRAF1TEKKDM4E
SCHEMBL5796495 0.80 PTGES (0.41) BRAFKDRRAF1PTGES
SCHEMBL5444078 0.74 PTGES (0.41) BRAFKDRRAF1PTGESKDM4E
SCHEMBL5793120 0.73 PTGES (0.36) BRAFKDRRAF1TEKPTGES
SCHEMBL5766766 0.72 BRAF (0.53) BRAFKDRRAF1TEK
SCHEMBL5450821 0.72 KDR (0.41) BRAFKDRRAF1
SCHEMBL5807345 0.71 RAF1 (0.42) BRAFKDRRAF1TEK
SCHEMBL14521447 0.70 POLB (0.41) KDRKDM4EMAPT
SCHEMBL5450095 0.70 KDR (0.44) BRAFKDRRAF1TEKPTGES

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