SCHEMBL6028623

SCHEMBL6028623

CCOC(C(=O)NCc1ccc(C#N)cc1O)N1C=C2C=CC(OC)C(=O)C2C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.34
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 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
SCHEMBL6028010 0.88 JAK2 (0.35) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL6028490 0.87 ENPP2 (0.33) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL6032377 0.78 F10 (0.33)
Acetic Acid SCHEMBL6029259 0.75 F10 (0.43)
SCHEMBL6028754 0.75
SCHEMBL6028353 0.73 P2RX7 (0.33) P2RX7
SCHEMBL6078352 0.69 SDCBP (0.34) P2RX7
SCHEMBL6078343 0.69 SDCBP (0.34) P2RX7
SCHEMBL6079105 0.68 LMNA (0.40)
SCHEMBL6079096 0.68 LMNA (0.40)

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