SCHEMBL1744618

SCHEMBL1744618

Cc1cc(-c2c(-c3ccnc(F)c3)nc3ccc(N4CCN(C(C)C)CC4)nn23)ccn1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK3 Q9Y572 7/20 0.47
CSNK1E P49674 8/20 0.42
TLR9 Q9NR96 3/20 0.41
TLR8 Q9NR97 3/20 0.41
TLR7 Q9NYK1 2/20 0.41
HASPIN Q8TF76 1/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL1744609 0.90 RIPK3 (0.58) RIPK3CSNK1EHASPIN
SCHEMBL1746048 0.90 RIPK3 (0.53) RIPK3CSNK1ETLR9TLR8TLR7
SCHEMBL477076 0.87 CSNK1E (0.55) RIPK3CSNK1ETLR9TLR8TLR7
SCHEMBL1744806 0.86 RIPK3 (0.45) RIPK3CSNK1ETLR9TLR8TLR7
SCHEMBL1744597 0.86 RIPK3 (0.49) RIPK3CSNK1ETLR9TLR8TLR7
SCHEMBL3108016 0.82 RIPK3 (0.43) RIPK3CSNK1EHASPINMAPK13MAPK12
SCHEMBL3113454 0.82 RIPK3 (0.57) RIPK3CSNK1EHASPIN
SCHEMBL3117143 0.80 RIPK3 (0.56) RIPK3CSNK1EHASPIN
SCHEMBL1744710 0.80 CSNK1E (0.66) RIPK3CSNK1EMAPK13MAPK12MAPK11
SCHEMBL17976968 0.80 CSNK1E (0.50) RIPK3CSNK1EMAPK13MAPK12MAPK11

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