SCHEMBL5833708

SCHEMBL5833708

COc1cc2c(cc1Oc1ccnc(N(C=O)CCC3CCCN3)c1)nc(Nc1ccc(Br)c(C)c1)n2C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.36
RAF1 P04049 10/20 0.36
EGFR P00533 1/20 0.34
EPHA2 P29317 2/20 0.32
KDR P35968 2/20 0.32
ERBB2 P04626 1/20 0.32
EPHB4 P54760 1/20 0.32
AXL P30530 1/20 0.31

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
SCHEMBL5834112 0.90 BRAF (0.36) BRAFRAF1EGFRKDR
SCHEMBL2890231 0.82 BRAF (0.53) BRAFRAF1KDR
SCHEMBL5834166 0.81 BRAF (0.42) BRAFRAF1EGFRERBB2
SCHEMBL2893684 0.80 BRAF (0.54) BRAFRAF1KDR
SCHEMBL2891466 0.77 BRAF (0.46) BRAFRAF1KDR
SCHEMBL2891332 0.75 BRAF (0.54) BRAFRAF1KDR
SCHEMBL2886003 0.73 RAF1 (0.51) BRAFRAF1KDR
SCHEMBL2893790 0.73 RAF1 (0.63) BRAFRAF1KDR
SCHEMBL2893998 0.73 RAF1 (0.51) BRAFRAF1KDR
SCHEMBL5834168 0.72 RAF1 (0.47) BRAFRAF1KDR

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
US-7071216-B2 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2006-07-04 US disclosed