SCHEMBL7407604

SCHEMBL7407604

CC(C)(C)OC(=O)Nc1ccncc1C#CCN1CCN(Cc2nccc3c2ccn3C(=O)OC(C)(C)C)C(=O)C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.32
AKT1 P31749 1/20 0.31
CCNK O75909 1/20 0.30
CDK12 Q9NYV4 1/20 0.30
TGFBR1 P36897 1/20 0.30
TGFBR2 P37173 1/20 0.30
BTK Q06187 1/20 0.30

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
SCHEMBL4385675 0.81 F10 (0.35) TBK1BTK
SCHEMBL4393085 0.76 F10 (0.47) TBK1BTK
SCHEMBL1654543 0.65 F10 (0.39) TBK1BTK
SCHEMBL5777576 0.64 NAMPT (0.43)
SCHEMBL1652457 0.63 GPR119 (0.39)
Propyne SCHEMBL6530506 0.62 NAMPT (0.42)
SCHEMBL4397648 0.62 F10 (0.41) CCNKCDK12BTK
SCHEMBL27551284 0.62 F10 (0.33) BTK
SCHEMBL8313717 0.61 NAMPT (0.45)
SCHEMBL1652602 0.61 NAMPT (0.38)

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-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP disclosed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 WO disclosed