SCHEMBL14391908

SCHEMBL14391908

COc1cccc(-c2nc3sccn3c2-c2ccnc(NC3CCCN(SC)C3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.57
RAF1 P04049 19/20 0.57
ERN1 O75460 1/20 0.51
ABL1 P00519 1/20 0.51
FGFR1 P11362 1/20 0.51
FLT3 P36888 1/20 0.51
MAPK8 P45983 1/20 0.51
MAPK11 Q15759 1/20 0.51
MAPK14 Q16539 1/20 0.51
NTRK2 Q16620 1/20 0.51
HIPK1 Q86Z02 1/20 0.51
MAP3K20 Q9NYL2 1/20 0.51

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
SCHEMBL13838979 1.00 BRAF (0.57) BRAFRAF1ERN1ABL1FGFR1
SCHEMBL13838955 0.90 BRAF (0.57) BRAFRAF1ERN1ABL1FGFR1
SCHEMBL13838956 0.90 BRAF (0.53) BRAFRAF1
SCHEMBL13838980 0.90 BRAF (0.56) BRAFRAF1ERN1ABL1FGFR1
SCHEMBL2746128 0.88 BRAF (0.59) BRAFRAF1ERN1ABL1FGFR1
SCHEMBL3816910 0.87 BRAF (0.63) BRAFRAF1ERN1ABL1FGFR1
SCHEMBL3813074 0.86 BRAF (0.62) BRAFRAF1ERN1ABL1FGFR1
SCHEMBL3812773 0.85 BRAF (0.68) BRAFRAF1ERN1ABL1FGFR1
SCHEMBL3812780 0.85 BRAF (0.68) BRAFRAF1ERN1ABL1FGFR1
SCHEMBL3816969 0.85 BRAF (0.56) BRAFRAF1

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-2007123892-A2 RAF INHIBITORS AND THEIR USES ARQULE INC. (US) 2007-11-01 WO disclosed