SCHEMBL7374752

SCHEMBL7374752

CC(C)(C)OC(=O)N[C@]1(Cc2ccc3c(N)ncnc3c2)CCNC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.41
PPIA P62937 2/20 0.37
GRM2 Q14416 1/20 0.33
F10 P00742 4/20 0.33
HSP90AB1 P08238 6/20 0.32
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
EPHB4 P54760 1/20 0.32
PRKDC P78527 1/20 0.32
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL7374454 0.89 PPIA (0.38) MAP4K4PPIAGRM2L3MBTL1
SCHEMBL7373275 0.88 MAP4K4 (0.36) MAP4K4F10HSP90AB1ABL1HCK
SCHEMBL7376570 0.85 PPIA (0.38) PPIAGRM2L3MBTL1
Trifluoroacetic Acid SCHEMBL7377687 0.83 MAP4K4 (0.34) MAP4K4F10HSP90AB1
SCHEMBL7375758 0.80 PPIA (0.43) PPIAGRM2L3MBTL1
SCHEMBL7459487 0.78 F10 (0.34) F10
SCHEMBL7369194 0.78 PPIA (0.39) PPIA
SCHEMBL7375460 0.77 PPIA (0.44) PPIAL3MBTL1
Trifluoroacetic Acid SCHEMBL7378536 0.76 F10 (0.33) F10
Trifluoroacetic Acid SCHEMBL7379421 0.76 KDR (0.37) MAP4K4F10ABL1KDRAURKA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086099-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2002-01-02 EP disclosed
EP-1086099-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-03-28 EP disclosed
WO-1999062904-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-09 WO disclosed