SCHEMBL5800536

SCHEMBL5800536

O=C(O)N(c1cccc(-c2n[nH]c3ccccc23)c1)C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 3/20 0.53
MAPK1 P28482 1/20 0.53
MAPKAPK3 Q16644 1/20 0.53
MAPK6 Q16659 1/20 0.53
TTK P33981 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK10 P53779 2/20 0.46
IDO1 P14902 2/20 0.46
ALPL P05186 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
AURKA O14965 5/20 0.45
MAP2K7 O14733 1/20 0.44
MAPK8 P45983 3/20 0.43
MAPK9 P45984 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL5377202 0.86 MAP2K4 (0.51) MAP2K4MAPK1MAPKAPK3MAPK6TTK
SCHEMBL8553350 0.76 SLC6A4 (0.51) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL20140840 0.70 OPRM1 (0.50) MAPK1SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL22801827 0.70 MAP2K4 (1.00) MAP2K4MAPK1MAPKAPK3MAPK6TTK
SCHEMBL18977088 0.69 TTK (0.75) MAP2K4MAPK1MAPKAPK3MAPK6TTK
SCHEMBL19597646 0.68 TTK (0.72) MAP2K4MAPK1MAPKAPK3MAPK6TTK
SCHEMBL4388788 0.68 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL30768403 0.67 ALDH1A1 (1.00) MAP2K4MAPK1MAPKAPK3MAPK6TTK
SCHEMBL855531 0.67 ALDH1A1 (1.00) MAP2K4MAPK1MAPKAPK3MAPK6TTK
SCHEMBL29640072 0.67 MAP2K4 (0.76) MAP2K4MAPK1MAPKAPK3MAPK6TTK

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-1618093-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS Signal Pharmaceuticals LLC (US) 2006-01-25 EP disclosed
WO-2004094388-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2004-11-04 WO disclosed