SCHEMBL6028490

SCHEMBL6028490

CCOC(C(=O)NCc1ccc(C#N)cc1OCC(=O)NC)N1C=C2C=CC(OC)C(=O)C2C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
MGLL Q99685 1/20 0.33
P2RX7 Q99572 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
SCHEMBL6028010 0.92 JAK2 (0.35) ENPP2JAK2JAK1TYK2JAK3
SCHEMBL6028623 0.87 P2RX7 (0.34) JAK2JAK1TYK2JAK3P2RX7
Acetic Acid SCHEMBL6029259 0.79 F10 (0.43)
SCHEMBL6032377 0.73 F10 (0.33)
SCHEMBL6077849 0.72 ENPP2 (0.36) ENPP2
SCHEMBL6077842 0.72 ENPP2 (0.36) ENPP2
SCHEMBL6028754 0.71
SCHEMBL6028546 0.69 F10 (0.33) ENPP2JAK2JAK1TYK2JAK3
SCHEMBL6030782 0.64 F10 (0.35) ENPP2JAK2JAK1TYK2JAK3
SCHEMBL6077622 0.64 F10 (0.35) ENPP2JAK2JAK1TYK2JAK3

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-1706396-A1 N-(4-CARBAMIMIDOYL-BENZYL)-2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F.HOFFMANN-LA ROCHE AG (CH) 2006-10-04 EP disclosed
WO-2005058868-A1 N-(4-CARBAMIMIDOYL-BENZYL) -2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed