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Sugi Predict / Compounds / SCHEMBL11904466

SCHEMBL11904466

SCHEMBL11904466

CC(C)(C)NCCn1cc(-c2ccc(F)c(Cl)c2)nc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 16/20 0.52
▸ AKT1 P31749 16/20 0.52
▸ MAPT P10636 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ GPR35 Q9HC97 1/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.46
▸ GPR119 Q8TDV5 1/20 0.43
▸ TRPV3 Q8NET8 1/20 0.43

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
SCHEMBL2063633 0.93 RPS6KB1 (0.51) RPS6KB1AKT1MAPTCNR1NPSR1
SCHEMBL2063679 0.91 RPS6KB1 (0.51) RPS6KB1AKT1MAPTCNR1NPSR1
SCHEMBL2063243 0.90 RPS6KB1 (0.49) RPS6KB1AKT1MAPTCNR1NPSR1
SCHEMBL11904398 0.90 RPS6KB1 (0.65) RPS6KB1AKT1
SCHEMBL11904316 0.89 RPS6KB1 (0.53) RPS6KB1AKT1MAPTCNR1NPSR1
SCHEMBL2062977 0.89 RPS6KB1 (0.51) RPS6KB1AKT1
SCHEMBL11904260 0.88 RPS6KB1 (0.60) RPS6KB1AKT1
SCHEMBL2064139 0.86 RPS6KB1 (0.46) RPS6KB1AKT1MAPTCNR1NPSR1
SCHEMBL2064061 0.85 GPR119 (0.44) RPS6KB1AKT1MAPTCNR1NPSR1
SCHEMBL2064656 0.85 GPR119 (0.47) RPS6KB1AKT1MAPTCNR1NPSR1

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-2358710-B1 AKT AND P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 2012-08-15 — — EP disclosed