SCHEMBL30645017

SCHEMBL30645017

CNC(=O)CC(Nc1nc2cc(OC(F)(F)F)ccc2[nH]1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 4/20 0.42
▸ MAPT P10636 2/20 0.42
▸ RAF1 P04049 2/20 0.40
▸ BRAF P15056 2/20 0.40
▸ MTOR P42345 1/20 0.39
▸ TEK Q02763 3/20 0.39
▸ KDR P35968 2/20 0.38
▸ ITGA5 P08648 1/20 0.37
▸ ITGB6 P18564 1/20 0.37
▸ ITGB8 P26012 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ WDR5 P61964 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 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
SCHEMBL20743026 1.00 SOS1 (0.42) SOS1MAPTRAF1BRAFMTOR
Trifluoroacetic Acid SCHEMBL22188697 0.97 SOS1 (0.42) SOS1MAPTRAF1BRAFMTOR
SCHEMBL20743019 0.88 SOS1 (0.45) SOS1MAPTRAF1MTORTEK
SCHEMBL20743025 0.87 MTOR (0.49) MAPTMTORTP53KMT2AMEN1
SCHEMBL30645019 0.86 NPC1 (0.47) SOS1RAF1BRAFMTORITGA5
SCHEMBL20743761 0.86 NPC1 (0.47) SOS1RAF1BRAFMTORITGA5
SCHEMBL20762081 0.81 SOS1 (0.41) SOS1ITGA5ITGB6ITGB8KMT2A
SCHEMBL30645122 0.80 MAPT (0.42) SOS1MAPTRAF1BRAFMTOR
SCHEMBL20743101 0.79 SOS1 (0.46) SOS1ITGA5ITGB6ITGB8KMT2A
SCHEMBL30645115 0.79 SOS1 (0.46) SOS1ITGA5ITGB6ITGB8KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111344281-B Potassium channel inhibitors substituted benzimidazoles 阿塞西翁制药公司 2023-11-14 — — CN claimed
CN-111344281-B Potassium channel inhibitors substituted benzimidazoles 阿塞西翁制药公司 2023-11-14 — — CN disclosed
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