SCHEMBL16586508

SCHEMBL16586508

NC(=O)c1c(Nc2ccc(-n3ccnc3)cc2)n[nH]c1Cc1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 9/20 0.48
▸ ENPP2 Q13822 1/20 0.46
▸ MKNK1 Q9BUB5 1/20 0.46
▸ MKNK2 Q9HBH9 1/20 0.46
▸ TBXAS1 P24557 2/20 0.40
▸ SYK P43405 1/20 0.40
▸ GAA P10253 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ SIRT3 Q9NTG7 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ BAZ2B Q9UIF8 1/20 0.37

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
SCHEMBL15278893 0.86 TNIK (0.52) TNIKENPP2MKNK1MKNK2TBXAS1
SCHEMBL17838684 0.81 GAA (0.58) TNIKENPP2MKNK1MKNK2SYK
SCHEMBL17838676 0.76 TNIK (0.45) TNIKSYKGAAGFERMAPT
SCHEMBL21907226 0.75 TNIK (0.46) TNIKSYKGAAGFERMAPT
SCHEMBL15278961 0.75 GAA (0.39) TNIKSYKGAAGFERMAPT
SCHEMBL21907242 0.72 TNIK (0.44) TNIKSYKGAAGFERMAPT
SCHEMBL21907231 0.72 TNIK (0.43) TNIKSYKGAAGFERPDE4A
SCHEMBL15272762 0.71 GAA (0.38) TNIKGAAGFERMAPTPDE4A
SCHEMBL21907299 0.70 TNIK (0.41) TNIKSYKPDE4APDE4BPDE4C
SCHEMBL15278955 0.70 TNIK (0.42) TNIKSYK

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-3046918-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2016-07-27 — — EP disclosed
WO-2015042111-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2015-03-26 — — WO disclosed
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