SCHEMBL4286752

SCHEMBL4286752

NC(=O)c1cc(-c2ccnc(-c3ccc(S(=O)(=O)C4CNCCO4)cc3)c2)[nH]c1N1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.37
CHUK O15111 3/20 0.37
PRKD1 Q15139 4/20 0.36
PRKD2 Q9BZL6 4/20 0.36
CDC7 O00311 1/20 0.36
MAPKAPK2 P49137 5/20 0.35
PRKD3 O94806 1/20 0.35
IRAK4 Q9NWZ3 6/20 0.33
ADRB1 P08588 1/20 0.33

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
SCHEMBL3614895 0.83 IKBKB (0.41) IKBKBCHUKPRKD1PRKD2CDC7
SCHEMBL3616158 0.82 IKBKB (0.47) IKBKBCHUK
SCHEMBL3612276 0.80 MAP4K4 (0.49) IKBKBCHUKPRKD1PRKD2CDC7
SCHEMBL3612278 0.80 MAPKAPK2 (0.53) PRKD1PRKD2CDC7MAPKAPK2PRKD3
SCHEMBL3618309 0.76 JAK2 (0.49) PRKD1PRKD2PRKD3
SCHEMBL3619274 0.76 ACVR1 (0.43) PRKD1PRKD2CDC7MAPKAPK2PRKD3
SCHEMBL3619357 0.75 CCNC (0.48) PRKD1PRKD2MAPKAPK2PRKD3
SCHEMBL3620099 0.75 IKBKB (0.44) IKBKBCHUKPRKD1PRKD2MAPKAPK2
SCHEMBL13408143 0.75 CCNC (0.41) PRKD1PRKD2MAPKAPK2
SCHEMBL3609047 0.74 PRKD1 (0.50) PRKD1PRKD2CDC7PRKD3IRAK4

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-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO disclosed