SCHEMBL1745973

SCHEMBL1745973

CC1(C)CN(c2ccc3nc(-c4ccncc4)c(I)n3n2)CCN1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 9/20 0.73
LATS1 O95835 1/20 0.46
RIPK3 Q9Y572 6/20 0.40
PRKCQ Q04759 1/20 0.39
EIF2AK4 Q9P2K8 1/20 0.39
PIM1 P11309 1/20 0.38
HDAC1 Q13547 1/20 0.37

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
SCHEMBL1744576 0.88 CSNK1E (0.92) CSNK1ELATS1RIPK3
SCHEMBL1745908 0.88 CSNK1E (0.63) CSNK1ELATS1RIPK3PRKCQEIF2AK4
SCHEMBL3107141 0.85 CSNK1E (1.00) CSNK1ELATS1RIPK3
SCHEMBL1746568 0.83 CSNK1E (0.77) CSNK1ELATS1RIPK3
SCHEMBL3110570 0.83 CSNK1E (1.00) CSNK1ELATS1RIPK3
SCHEMBL1744357 0.82 CSNK1E (0.55) CSNK1ELATS1PRKCQEIF2AK4PIM1
SCHEMBL3116817 0.81 CSNK1E (1.00) CSNK1ELATS1RIPK3
SCHEMBL3105787 0.80 CSNK1E (0.81) CSNK1ELATS1RIPK3
SCHEMBL1744530 0.80 CSNK1E (0.84) CSNK1ELATS1RIPK3
SCHEMBL3111989 0.80 CSNK1E (1.00) CSNK1ELATS1RIPK3

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