SCHEMBL30188700

SCHEMBL30188700

COc1cc2ccccc2c(N2CCc3c(nc(OCCCN4CCOCC4)nc3N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1F

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 8/20 0.45
▸ TLR9 Q9NR96 6/20 0.44
▸ TLR7 Q9NYK1 4/20 0.44
▸ MTOR P42345 2/20 0.39
▸ RAF1 P04049 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ PDGFRB P09619 3/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ FLT3 P36888 1/20 0.36

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
SCHEMBL19948571 1.00 KRAS (0.45) KRASTLR9TLR7MTORRAF1
SCHEMBL19959300 0.94 KRAS (0.45) KRASTLR9TLR7MTORRAF1
SCHEMBL19637327 0.90 KRAS (0.56) KRAS
SCHEMBL30188995 0.90 KRAS (0.56) KRAS
SCHEMBL19637328 0.89 KRAS (0.42) KRASTLR9TLR7KIT
SCHEMBL19617021 0.86 KRAS (0.42) KRASTLR9TLR7
SCHEMBL19617086 0.83 KRAS (0.60) KRAS
SCHEMBL19637302 0.83 KRAS (0.56) KRAS
SCHEMBL30188858 0.82 KRAS (0.58) KRAS
SCHEMBL19637181 0.82 KRAS (0.58) KRAS

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-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 — — EP disclosed
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