SCHEMBL22652906

SCHEMBL22652906

CNc1ncc2cc(-c3cc(NC(=O)N4CCCC4)ccc3C)c(C)nc2n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 4/20 0.69
▸ ABL1 P00519 7/20 0.50
▸ RAB9A P51151 5/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ GLA P06280 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KLK7 P49862 1/20 0.47
▸ KRAS P01116 3/20 0.45
▸ BRAF P15056 3/20 0.45
▸ KDR P35968 2/20 0.45
▸ MAPK13 O15264 1/20 0.45
▸ FYN P06241 1/20 0.45
▸ ARAF P10398 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ EPHA2 P29317 1/20 0.45

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
SCHEMBL22652907 0.87 ABL1 (0.58) RAF1ABL1RAB9ANPC1L3MBTL1
SCHEMBL22625498 0.87 RAF1 (0.63) RAF1ABL1RAB9ANPC1L3MBTL1
SCHEMBL23745178 0.85 RAF1 (0.75) RAF1ABL1RAB9ANPC1HTT
SCHEMBL22612839 0.84 RAF1 (0.79) RAF1ABL1KRASBRAFKDR
SCHEMBL30439766 0.84 RAF1 (0.79) RAF1ABL1KRASBRAFKDR
SCHEMBL22612951 0.83 RAF1 (0.65) RAF1ABL1KRASBRAFKDR
SCHEMBL29427286 0.83 RAF1 (0.65) RAF1ABL1KRASBRAFKDR
SCHEMBL22612814 0.82 RAF1 (0.75) RAF1BRAF
SCHEMBL22625553 0.82 RAF1 (0.75) RAF1ABL1KRASBRAFKDR
SCHEMBL22612954 0.82 RAF1 (0.71) RAF1ABL1KRASBRAFKDR

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-2020227020-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2020-11-12 — — WO disclosed
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