SCHEMBL6028010

SCHEMBL6028010

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
F10 P00742 1/20 0.33
MGLL Q99685 1/20 0.33
ENPP2 Q13822 2/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL6028490 0.92 ENPP2 (0.33) JAK2JAK1TYK2JAK3MGLL
SCHEMBL6028623 0.88 P2RX7 (0.34) JAK2JAK1TYK2JAK3P2RX7
Acetic Acid SCHEMBL6029259 0.86 F10 (0.43) F10
SCHEMBL6032824 0.82 F10 (0.39) F10
SCHEMBL6032377 0.77 F10 (0.33) F10
SCHEMBL6028546 0.76 F10 (0.33) JAK2JAK1TYK2JAK3F10
SCHEMBL6030782 0.72 F10 (0.35) JAK2JAK1TYK2JAK3F10
SCHEMBL6077622 0.72 F10 (0.35) JAK2JAK1TYK2JAK3F10
SCHEMBL6031012 0.71 LMNA (0.36) JAK2JAK1TYK2JAK3F10
SCHEMBL6077767 0.71 LMNA (0.36) JAK2JAK1TYK2JAK3F10

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