SCHEMBL4780188

SCHEMBL4780188

Cc1c(F)cccc1C(=O)NC[C@@]1(N)CCN(c2ncnc3[nH]cc(Cl)c23)C1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.74
RPS6KB1 P23443 1/20 0.62
AKT2 P31751 1/20 0.62
AKT3 Q9Y243 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
SCHEMBL4918042 0.92 AKT1 (0.77) AKT1RPS6KB1AKT2AKT3
SCHEMBL4780211 0.92 AKT1 (0.87) AKT1RPS6KB1AKT2AKT3
SCHEMBL4778636 0.92 AKT1 (0.77) AKT1RPS6KB1AKT2AKT3
SCHEMBL4776360 0.92 AKT1 (0.81) AKT1RPS6KB1AKT2AKT3
SCHEMBL4921225 0.90 AKT1 (0.76) AKT1RPS6KB1AKT2AKT3
SCHEMBL4916462 0.89 AKT1 (0.77) AKT1RPS6KB1AKT2AKT3
SCHEMBL4778598 0.89 AKT1 (0.71) AKT1RPS6KB1AKT2AKT3
SCHEMBL4725191 0.89 AKT1 (0.70) AKT1RPS6KB1AKT2AKT3
SCHEMBL4916364 0.88 AKT1 (0.73) AKT1RPS6KB1AKT2AKT3
SCHEMBL4776999 0.88 AKT1 (0.75) AKT1RPS6KB1AKT2AKT3

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-2008012635-A2 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed