Sugi Predict

Sugi Predict / Compounds / SCHEMBL4362616

SCHEMBL4362616

SCHEMBL4362616

CC(C)NC(C(C=O)c1ccc(Cl)c(F)c1)N1CCN(c2ncnc3c2[C@H](C)OC3)CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 10/20 0.55
▸ AKT2 P31751 2/20 0.43
▸ AKT3 Q9Y243 2/20 0.43
▸ AKT1S1 Q96B36 5/20 0.38
▸ RPS6KB1 P23443 4/20 0.37
▸ P2RX3 P56373 1/20 0.37

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
SCHEMBL2555510 0.83 AKT1 (0.64) AKT1AKT2AKT3
SCHEMBL2552241 0.83 AKT1 (0.64) AKT1AKT2AKT3
SCHEMBL1299123 0.78 AKT1 (0.77) AKT1AKT2AKT3
SCHEMBL1299125 0.78 AKT1 (0.77) AKT1AKT2AKT3
SCHEMBL16885895 0.77 AKT1 (0.67) AKT1AKT2AKT3
SCHEMBL12813078 0.76 AKT1 (0.56) AKT1AKT2AKT3
Hydrochloric Acid SCHEMBL4360899 0.75 AKT1 (0.57) AKT1AKT2AKT3
SCHEMBL12813055 0.75 AKT1 (0.54) AKT1AKT2AKT3
SCHEMBL12812964 0.75 AKT1 (0.54) AKT1AKT2AKT3
Hydrochloric Acid SCHEMBL2573814 0.74 AKT1 (0.52) AKT1AKT2AKT3

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
EP-2049546-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2009-04-22 — — EP disclosed
WO-2008006025-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 — — WO disclosed