SCHEMBL28488165

SCHEMBL28488165

CNCC(Nc1ncnc2c(C(N)=O)ccnc12)c1ccc(C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.86
RPS6KB1 P23443 7/20 0.85

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
SCHEMBL15762703 1.00 AKT1 (0.86) AKT1RPS6KB1
SCHEMBL15762699 0.93 AKT1 (1.00) AKT1RPS6KB1
SCHEMBL20178104 0.93 AKT1 (1.00) AKT1RPS6KB1
SCHEMBL20178072 0.93 AKT1 (0.83) AKT1RPS6KB1
SCHEMBL15762457 0.93 AKT1 (0.83) AKT1RPS6KB1
SCHEMBL20178079 0.93 AKT1 (1.00) AKT1RPS6KB1
SCHEMBL15762465 0.93 AKT1 (1.00) AKT1RPS6KB1
SCHEMBL15762408 0.92 AKT1 (1.00) AKT1RPS6KB1
SCHEMBL20178096 0.92 AKT1 (1.00) AKT1RPS6KB1
SCHEMBL20178087 0.92 AKT1 (1.00) AKT1RPS6KB1

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-105793254-B Azaquinazoline carboxamide derivatives 默克专利有限公司 2020-10-23 CN claimed