SCHEMBL17208618

SCHEMBL17208618

COc1c(CNc2cccc(C(=O)Nc3cc(-n4cnc(C)c4)cc(C(F)(F)F)c3)c2)cnc2[nH]ccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.76
▸ MAP3K20 Q9NYL2 1/20 0.76
▸ NR2E1 Q9Y466 8/20 0.58
▸ MAP3K7 O43318 1/20 0.58
▸ MAP4K2 Q12851 1/20 0.58
▸ KIT P10721 2/20 0.52
▸ LDLR P01130 1/20 0.52
▸ PCSK9 Q8NBP7 1/20 0.52
▸ ABL1 P00519 7/20 0.52
▸ BCR P11274 4/20 0.52
▸ EGFR P00533 1/20 0.51
▸ LCK P06239 1/20 0.51
▸ FYN P06241 1/20 0.51
▸ YES1 P07947 1/20 0.51
▸ LYN P07948 1/20 0.51
▸ HCK P08631 1/20 0.51
▸ SRC P12931 1/20 0.51
▸ BRAF P15056 1/20 0.51
▸ PDGFRA P16234 1/20 0.51
▸ FRK P42685 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
SCHEMBL17244056 0.91 MAP3K20 (0.63) MAPK14MAP3K20NR2E1MAP3K7MAP4K2
SCHEMBL17208711 0.87 MAPK14 (0.60) MAPK14MAP3K20NR2E1MAP3K7MAP4K2
SCHEMBL17208706 0.86 DDR1 (0.55) MAPK14MAP3K20MAP3K7MAP4K2BRAF
SCHEMBL17208620 0.83 DDR1 (0.55) MAPK14MAP3K20MAP3K7MAP4K2BRAF
SCHEMBL16581560 0.81 MAPK14 (0.76) MAPK14MAP3K20NR2E1MAP3K7MAP4K2
SCHEMBL16581559 0.81 MAPK14 (0.76) MAPK14MAP3K20NR2E1MAP3K7MAP4K2
SCHEMBL24070682 0.78 MAPK14 (0.69) MAPK14MAP3K20NR2E1MAP3K7MAP4K2
SCHEMBL30447296 0.78 MAPK14 (0.69) MAPK14MAP3K20NR2E1MAP3K7MAP4K2
SCHEMBL17243860 0.78 KCNK3 (0.53) MAPK14MAP3K20MAP3K7MAP4K2DDR1
SCHEMBL29561954 0.75 NR2E1 (1.00) NR2E1KITLDLRPCSK9ABL1

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
EP-2937345-A2 Type II raf kinase inhibitors Dana-Farber Cancer Institute, Inc. (US) 2015-10-28 — — EP disclosed
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