SCHEMBL28138008

SCHEMBL28138008

O=C(NCC1CCN(c2ccc(C(=O)O)c3ncncc23)C1)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 19/20 0.87
▸ AKT1 P31749 4/20 0.50
▸ LPL P06858 1/20 0.47
▸ LIPG Q9Y5X9 1/20 0.47

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
SCHEMBL15073600 0.93 RPS6KB1 (1.00) RPS6KB1AKT1
SCHEMBL28137410 0.88 RPS6KB1 (0.68) RPS6KB1AKT1
SCHEMBL15060263 0.83 RPS6KB1 (1.00) RPS6KB1AKT1
SCHEMBL15059869 0.81 RPS6KB1 (0.79) RPS6KB1AKT1
SCHEMBL15054900 0.79 RPS6KB1 (1.00) RPS6KB1AKT1
SCHEMBL15060207 0.77 RPS6KB1 (1.00) RPS6KB1AKT1
SCHEMBL15059122 0.77 RPS6KB1 (1.00) RPS6KB1AKT1
SCHEMBL15073438 0.77 RPS6KB1 (1.00) RPS6KB1AKT1
SCHEMBL28137482 0.76 RPS6KB1 (0.73) RPS6KB1AKT1
SCHEMBL18192371 0.72 RPS6KB1 (0.80) 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-B novel heterocyclic carboxamides as modulators of kinase activity 默克专利有限公司 2017-03-01 — — CN disclosed
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