SCHEMBL19158264

SCHEMBL19158264

CNc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3C)CC2)c1-c1cccc(C#N)c1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 20/20 0.82
▸ AKT1 P31749 8/20 0.82
▸ AKT2 P31751 4/20 0.65
▸ AKT3 Q9Y243 4/20 0.65
▸ KCNH2 Q12809 2/20 0.65
▸ CYP2B6 P20813 1/20 0.62

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
SCHEMBL14786339 0.90 RPS6KB1 (1.00) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL19182633 0.90 RPS6KB1 (0.81) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL19157744 0.90 RPS6KB1 (0.81) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL19158362 0.88 RPS6KB1 (0.82) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL19158748 0.85 RPS6KB1 (0.82) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL19158338 0.85 RPS6KB1 (0.80) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL19158233 0.85 RPS6KB1 (0.81) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL19158414 0.84 RPS6KB1 (0.81) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL19158390 0.84 RPS6KB1 (0.81) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL19157936 0.83 RPS6KB1 (0.81) RPS6KB1AKT1AKT2AKT3KCNH2

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-2755965-B1 NOVEL IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2017-07-26 — — EP disclosed
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