SCHEMBL5577231

SCHEMBL5577231

CCc1n[nH]c2ncnc(N3CCN(c4cc(Cl)cc(C(N)C(OC(=O)C(F)(F)F)N(C)CC)c4C)CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 19/20 0.43
AKT1 P31749 10/20 0.42
AKT2 P31751 3/20 0.42
RPS6KA3 P51812 3/20 0.42

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
SCHEMBL4923245 0.85 RPS6KB1 (0.48) RPS6KB1AKT1AKT2RPS6KA3
Trifluoroacetic Acid SCHEMBL5577229 0.84 RPS6KB1 (0.44) RPS6KB1AKT1AKT2RPS6KA3
SCHEMBL4932473 0.83 RPS6KB1 (0.41) RPS6KB1AKT1AKT2RPS6KA3
SCHEMBL4931519 0.81 RPS6KB1 (0.48) RPS6KB1AKT1AKT2RPS6KA3
SCHEMBL4930144 0.78 RPS6KB1 (0.39) RPS6KB1AKT1AKT2RPS6KA3
Trifluoroacetic Acid SCHEMBL4931514 0.77 RPS6KB1 (0.57) RPS6KB1AKT1AKT2RPS6KA3
Trifluoroacetic Acid SCHEMBL4923234 0.77 RPS6KB1 (0.58) RPS6KB1AKT1AKT2RPS6KA3
SCHEMBL4928920 0.76 RPS6KB1 (0.36) RPS6KB1AKT1AKT2RPS6KA3
Trifluoroacetic Acid SCHEMBL4932460 0.76 RPS6KB1 (0.44) RPS6KB1AKT1AKT2RPS6KA3
SCHEMBL4926222 0.75 RPS6KB1 (0.52) RPS6KB1AKT1AKT2RPS6KA3

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-1750727-A2 KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005117909-A2 KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-15 WO disclosed