SCHEMBL1744597

SCHEMBL1744597

Cc1cc(-c2c(-c3cccnc3)nc3ccc(N4CCN(C(C)C)CC4)nn23)ccn1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RIPK3 Q9Y572 8/20 0.49
CSNK1E P49674 7/20 0.43
HASPIN Q8TF76 1/20 0.42
TLR9 Q9NR96 2/20 0.42
TLR8 Q9NR97 2/20 0.42
ACVR1 Q04771 1/20 0.40
TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL1746048 0.90 RIPK3 (0.53) RIPK3CSNK1EHASPINTLR9TLR8
SCHEMBL1744806 0.89 RIPK3 (0.45) RIPK3CSNK1EHASPINTLR9TLR8
SCHEMBL1745981 0.89 RIPK3 (0.59) RIPK3CSNK1EHASPIN
SCHEMBL1744618 0.86 RIPK3 (0.47) RIPK3CSNK1EHASPINTLR9TLR8
SCHEMBL477076 0.84 CSNK1E (0.55) RIPK3CSNK1ETLR9TLR8ACVR1
SCHEMBL1744537 0.81 CSNK1E (0.67) RIPK3CSNK1EACVR1
SCHEMBL1746104 0.79 RIPK3 (0.61) RIPK3CSNK1EHASPIN
SCHEMBL3112047 0.79 RIPK3 (0.52) RIPK3CSNK1EHASPIN
SCHEMBL1744609 0.78 RIPK3 (0.58) RIPK3CSNK1EHASPIN
SCHEMBL3354760 0.77 RIPK3 (0.54) RIPK3CSNK1EHASPIN

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