SCHEMBL5577249

SCHEMBL5577249

CCc1n[nH]c2cncc(N3CCN(c4cc(OCC(F)(CF)CF)cc(Br)c4C)CC3)c12

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.31
AKT1 P31749 1/20 0.31

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
SCHEMBL1789696 0.82 RPS6KB1 (0.43) RPS6KB1AKT1
SCHEMBL1794254 0.74 RPS6KB1 (0.43) RPS6KB1AKT1
SCHEMBL4925823 0.69 GPR119 (0.40)
SCHEMBL4930413 0.67 ALDH1A1 (0.35)
SCHEMBL1792345 0.67 RPS6KB1 (0.62) RPS6KB1AKT1
SCHEMBL5577196 0.65 RPS6KB1 (0.44) RPS6KB1AKT1
Ether SCHEMBL4929772 0.64 AMD1 (0.31)
SCHEMBL1792249 0.61 RPS6KB1 (0.56) RPS6KB1AKT1
SCHEMBL1792988 0.61 RPS6KB1 (0.46) RPS6KB1AKT1
SCHEMBL1791694 0.61 RPS6KB1 (0.65) 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 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