SCHEMBL19258210

SCHEMBL19258210

COc1cc2c(Oc3ccccc3)ncnc2cc1OCCCN1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.64
RAF1 P04049 4/20 0.64
FLT4 P35916 12/20 0.60
KDR P35968 12/20 0.60
PDGFRB P09619 5/20 0.60
AURKA O14965 4/20 0.60
TEK Q02763 4/20 0.60
AURKB Q96GD4 4/20 0.60
FLT1 P17948 8/20 0.56
EGFR P00533 2/20 0.51
CSF1R P07333 2/20 0.51
FLT3 P36888 2/20 0.51
PLK4 O00444 1/20 0.51
GAK O14976 1/20 0.51
EPHB6 O15197 1/20 0.51
RIPK2 O43353 1/20 0.51
ERN1 O75460 1/20 0.51
STK10 O94804 1/20 0.51
MAP4K4 O95819 1/20 0.51
CHEK2 O96017 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
SCHEMBL19258107 0.89 KDR (0.73) BRAFRAF1FLT4KDRPDGFRB
SCHEMBL19258108 0.87 KDR (0.63) BRAFRAF1FLT4KDRPDGFRB
SCHEMBL19258554 0.85 BRAF (0.63) BRAFRAF1FLT4KDRPDGFRB
SCHEMBL4023679 0.85 SRC (0.66) BRAFRAF1FLT4KDRPDGFRB
SCHEMBL17278101 0.85 SRC (0.66) BRAFRAF1FLT4KDRPDGFRB
SCHEMBL7211076 0.84 KDR (0.66) BRAFRAF1FLT4KDRPDGFRB
SCHEMBL297048 0.84 RAF1 (0.55) BRAFRAF1FLT4KDRPDGFRB
SCHEMBL1401661 0.84 RAF1 (0.55) BRAFRAF1FLT4KDRPDGFRB
SCHEMBL19258478 0.83 BRAF (0.64) BRAFRAF1KDREGFR
SCHEMBL5501376 0.83 KDR (0.66) BRAFRAF1FLT4KDRPDGFRB

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