SCHEMBL1743706

SCHEMBL1743706

Clc1ccc2nc(-c3ccncc3)cn2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.54
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
PIK3CG P48736 2/20 0.40
PIK3CA P42336 1/20 0.40
KDM4E B2RXH2 3/20 0.40
DRD2 P14416 3/20 0.37
DRD4 P21917 3/20 0.37
DRD3 P35462 3/20 0.37
HTR1A P08908 2/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
FLT3 P36888 1/20 0.36
GSK3B P49841 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
ALDH1A1 P00352 3/20 0.36
AHR P35869 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL22614984 0.85 NPC1 (0.57) RAB9ANPC1KDM4EDRD2DRD4
SCHEMBL3108835 0.85 NPC1 (0.54) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
Bromide SCHEMBL1691891 0.83 NPC1 (0.56) RAB9ANPC1KDM4EDRD2DRD4
SCHEMBL2544254 0.82 RAB9A (0.47) RAB9ANPC1KDM4EDRD2DRD4
SCHEMBL1395044 0.82 DRD2 (0.49) RAB9ANPC1KDM4EDRD2DRD4
SCHEMBL1665690 0.82 NPC1 (0.56) DYRK1ARAB9ANPC1KDM4EALDH1A1
SCHEMBL1746565 0.81 DYRK3 (0.52) DYRK1ARAB9ANPC1PIK3CGPIK3CA
SCHEMBL13350951 0.80 PIK3CA (0.43) DYRK1ARAB9ANPC1PIK3CGPIK3CA
SCHEMBL4099914 0.78 DRD2 (0.42) RAB9ANPC1KDM4EDRD2DRD4
SCHEMBL2540879 0.76 SMN1; SMN2 (0.41) DYRK1ARAB9ANPC1PIK3CGPIK3CA

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