SCHEMBL1744641

SCHEMBL1744641

CC(C)N1CCN(c2ccc3nc(Br)c(-c4ccncc4)n3n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 10/20 0.54
RIPK3 Q9Y572 8/20 0.49
HRH3 Q9Y5N1 1/20 0.42
HASPIN Q8TF76 1/20 0.41

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
SCHEMBL1746104 0.87 RIPK3 (0.61) CSNK1ERIPK3HASPIN
SCHEMBL477121 0.87 CSNK1E (0.71) CSNK1ERIPK3HRH3HASPIN
SCHEMBL3121095 0.81 CSNK1E (0.66) CSNK1ERIPK3HASPIN
SCHEMBL1745981 0.81 RIPK3 (0.59) CSNK1ERIPK3HRH3HASPIN
SCHEMBL1744609 0.80 RIPK3 (0.58) CSNK1ERIPK3HASPIN
SCHEMBL1743709 0.79 HRH3 (0.44) CSNK1EHRH3
SCHEMBL3113454 0.79 RIPK3 (0.57) CSNK1ERIPK3HASPIN
SCHEMBL1744770 0.78 CSNK1E (0.54) CSNK1ERIPK3HASPIN
SCHEMBL3112816 0.78 RIPK3 (0.64) CSNK1ERIPK3HASPIN
SCHEMBL1746048 0.78 RIPK3 (0.53) CSNK1ERIPK3HASPIN

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 4 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
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