SCHEMBL1745786

SCHEMBL1745786

C[C@H]1CN(c2ccc3nc(-c4cncc(F)c4)c(-c4ccncc4)n3n2)CCN1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 11/20 0.80
RIPK3 Q9Y572 7/20 0.47
HASPIN Q8TF76 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
SCHEMBL1743950 0.91 CSNK1E (0.66) CSNK1ERIPK3
SCHEMBL3115762 0.89 CSNK1E (0.80) CSNK1ERIPK3HASPIN
SCHEMBL3115768 0.89 CSNK1E (0.80) CSNK1ERIPK3HASPIN
SCHEMBL3107928 0.89 CSNK1E (1.00) CSNK1ERIPK3
SCHEMBL3110534 0.89 CSNK1E (1.00) CSNK1ERIPK3
SCHEMBL3107921 0.89 CSNK1E (1.00) CSNK1ERIPK3
SCHEMBL3115831 0.88 CSNK1E (0.78) CSNK1ERIPK3HASPIN
SCHEMBL3115839 0.88 CSNK1E (0.78) CSNK1ERIPK3HASPIN
SCHEMBL1743668 0.87 CSNK1E (0.79) CSNK1ERIPK3HASPIN
SCHEMBL3119052 0.86 CSNK1E (0.81) 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 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