SCHEMBL14842452

SCHEMBL14842452

Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N(C(=O)O)C(C)(C)C)cnc2C#N)ccc1Br

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 17/20 0.37
KCNH2 Q12809 13/20 0.37
ZAP70 P43403 1/20 0.36
CYP2D6 P10635 1/20 0.32
DYRK3 O43781 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
PIM3 Q86V86 1/20 0.32
HIPK2 Q9H2X6 1/20 0.32
CHEK1 O14757 1/20 0.31

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
SCHEMBL15968030 0.86 SYK (0.40) SYKKCNH2ZAP70CYP2D6CHEK1
SCHEMBL15968031 0.86 SYK (0.40) SYKKCNH2ZAP70CYP2D6CHEK1
SCHEMBL17745696 0.83 SYK (0.44) SYKKCNH2ZAP70
SCHEMBL17745697 0.83 JAK2 (0.33) SYKKCNH2
SCHEMBL14851057 0.83 JAK3 (0.39) SYKKCNH2ZAP70
SCHEMBL17745674 0.78 SYK (0.51) SYKKCNH2ZAP70CYP2D6
SCHEMBL14842454 0.78 SYK (0.33) SYKKCNH2ZAP70DYRK3CSNK2A2
SCHEMBL15968322 0.77 SYK (0.42) SYKKCNH2ZAP70CYP2D6
SCHEMBL14976231 0.72 JAK3 (0.42) SYKCHEK1
SCHEMBL15968495 0.72 SYK (0.39) SYKKCNH2ZAP70

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763976-B1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2016-05-18 EP disclosed
EP-2763976-A1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-08-13 EP disclosed
WO-2013052394-A1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-04-11 WO disclosed