SCHEMBL19258554

SCHEMBL19258554

COc1cc2c(Oc3ccccc3)ncnc2cc1OCCCN1CCS(=O)(=O)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.63
KDR P35968 13/20 0.62
FLT4 P35916 12/20 0.62
PDGFRB P09619 4/20 0.62
TEK Q02763 4/20 0.62
AURKB Q96GD4 4/20 0.62
AURKA O14965 3/20 0.62
RAF1 P04049 3/20 0.58
FLT1 P17948 9/20 0.58
RET P07949 2/20 0.55
EGFR P00533 2/20 0.53
PLK4 O00444 1/20 0.53
GAK O14976 1/20 0.53
EPHB6 O15197 1/20 0.53
RIPK2 O43353 1/20 0.53
ERN1 O75460 1/20 0.53
STK10 O94804 1/20 0.53
MAP4K4 O95819 1/20 0.53
CHEK2 O96017 1/20 0.53
ABL1 P00519 1/20 0.53

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
SCHEMBL19258107 0.91 KDR (0.73) BRAFKDRFLT4PDGFRBTEK
SCHEMBL4023679 0.87 SRC (0.66) BRAFKDRFLT4PDGFRBTEK
SCHEMBL19258108 0.87 KDR (0.63) BRAFKDRFLT4PDGFRBTEK
SCHEMBL17278101 0.87 SRC (0.66) BRAFKDRFLT4PDGFRBTEK
SCHEMBL4384142 0.86 BRAF (0.57) BRAFKDRFLT4PDGFRBTEK
SCHEMBL7211076 0.85 KDR (0.66) BRAFKDRFLT4PDGFRBTEK
SCHEMBL19258210 0.85 BRAF (0.64) BRAFKDRFLT4PDGFRBTEK
SCHEMBL5501376 0.84 KDR (0.66) BRAFKDRFLT4PDGFRBTEK
SCHEMBL4373308 0.84 BRAF (0.55) BRAFKDRFLT4PDGFRBTEK
SCHEMBL19258207 0.84 RAF1 (0.64) BRAFKDRFLT4PDGFRBTEK

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-9730937-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2017-08-15 US disclosed