SCHEMBL4418227

SCHEMBL4418227

Cn1ccc(C(=O)Nc2cn(C)c(C(=O)O)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 6/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RPS6KA2 Q15349 4/20 0.36
CREBBP Q92793 1/20 0.35
RPS6KA3 P51812 1/20 0.34

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
SCHEMBL5332204 0.76 NAMPT (0.49) NPC1RAB9ARPS6KA2RPS6KA3
SCHEMBL14003304 0.75 BACE1 (0.37) MEN1KMT2ARPS6KA2RPS6KA3
SCHEMBL5455808 0.75 NAMPT (0.48) RPS6KA2RPS6KA3
SCHEMBL12307514 0.74 RPS6KA2 (0.35) RPS6KA2RPS6KA3
SCHEMBL5334047 0.74 RPS6KA2 (0.35) RPS6KA2RPS6KA3
SCHEMBL1841985 0.74 KDM4E (0.44) NPC1RAB9AKMT2A
SCHEMBL30125600 0.73 CSNK1D (0.45) NPC1RAB9A
SCHEMBL3985721 0.73 RAB9A (0.50) NPC1RAB9A
SCHEMBL7502655 0.73 EGFR (0.50)
SCHEMBL29129120 0.72 ADORA3 (0.41) NPC1RAB9A

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
WO-2009060215-A1 POLYAMIDES SPIROGEN LIMITED (GB) 2009-05-14 WO disclosed