SCHEMBL1746576

SCHEMBL1746576

Brc1nc2cccnn2c1-c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.49
RIPK3 Q9Y572 1/20 0.48
PDE4A P27815 16/20 0.39
PDE4B Q07343 16/20 0.39
PDE4C Q08493 16/20 0.39
PDE4D Q08499 16/20 0.39
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL22189751 0.88 AKT1 (0.48) RIPK3PDE4APDE4BPDE4CPDE4D
SCHEMBL3355854 0.83 MKNK1 (0.39) MKNK1RIPK3PDE4APDE4BPDE4C
SCHEMBL4710579 0.80 MKNK1 (0.49) MKNK1RIPK3PDE4APDE4BPDE4C
SCHEMBL456971 0.74 MKNK1 (0.37) MKNK1RIPK3PDE4APDE4BPDE4C
SCHEMBL22189658 0.74 PDE4D (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL477190 0.73 RIPK3 (0.46) MKNK1RIPK3PDE4APDE4BPDE4C
SCHEMBL1745964 0.72 PDE4A (0.48) MKNK1PDE4APDE4BPDE4CPDE4D
SCHEMBL5801474 0.67 MKNK1 (0.53) MKNK1
SCHEMBL2068562 0.66 PDE4B (0.35) PDE4APDE4BPDE4CPDE4D
SCHEMBL2066630 0.66 CA1 (0.36) MKNK1PDE4APDE4BPDE4CPDE4D

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-2385946-A1 DERIVATIVES OF 6-CYCLOAMINO-2,3-DI-PYRIDINYL-IMIDAZO[1,2-B]-PYRIDAZINE, PREPARATION AND TUERAPEUTIC APPLICATION THEREOF SANOFI (FR) 2011-11-16 EP disclosed
US-8040450-B2 Liquid crystal electro-optic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-10-18 US disclosed
WO-2010070238-A1 DERIVATIVES OF 6-CYCLOAMINO-2,3-DI-PYRIDINYL-IMIDAZO[1,2-B]-PYRIDAZINE, PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2010-06-24 WO disclosed