SCHEMBL27992801

SCHEMBL27992801

NC(=O)c1ccc(N2CCC(C=Cc3ccccc3)C2)c2cncnc12

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 20/20 0.65
▸ AKT1 P31749 3/20 0.63

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
SCHEMBL15054921 0.79 RPS6KB1 (1.00) RPS6KB1AKT1
SCHEMBL15054652 0.77 RPS6KB1 (1.00) RPS6KB1AKT1
SCHEMBL15055043 0.77 RPS6KB1 (1.00) RPS6KB1AKT1
SCHEMBL15058857 0.76 RPS6KB1 (1.00) RPS6KB1AKT1
SCHEMBL15073680 0.76 RPS6KB1 (1.00) RPS6KB1AKT1
SCHEMBL15073854 0.74 RPS6KB1 (1.00) RPS6KB1AKT1
SCHEMBL15073448 0.73 RPS6KB1 (1.00) RPS6KB1AKT1
SCHEMBL15054690 0.73 RPS6KB1 (1.00) RPS6KB1AKT1
SCHEMBL15073609 0.73 RPS6KB1 (1.00) RPS6KB1AKT1
SCHEMBL15054515 0.72 RPS6KB1 (1.00) RPS6KB1AKT1

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
CN-104169258-A Novel heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH 2014-11-26 — — CN disclosed
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