SCHEMBL5348322

SCHEMBL5348322

Clc1ccc(-c2nc3c(Cl)nc(-c4cccc(Cl)c4)cn3c2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 1/20 0.44
▸ DYRK3 O43781 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ CSNK1D P48730 1/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ BLK P51451 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44
▸ STK3 Q13188 1/20 0.44
▸ CAMK2B Q13554 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ PIM3 Q86V86 1/20 0.44
▸ HIPK2 Q9H2X6 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ SGK2 Q9HBY8 1/20 0.44
▸ AKT1 P31749 5/20 0.42

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
SCHEMBL5346278 0.88 KDM4E (0.47) AKT1AKT2ADORA2AKDM4ELMNA
SCHEMBL5320557 0.84 AKT1 (0.45) MAPK13DYRK3MAP4K4FYNPIM1
SCHEMBL5356111 0.77 AKT1 (0.41) AKT1AKT2ADORA2AKDM4ELMNA
SCHEMBL5341786 0.75 AKT1 (0.48) AKT1AKT2ADORA2AKDM4ELMNA
SCHEMBL5360784 0.74 KDM4E (0.47) AKT1AKT2ADORA2ADPP4DPP8
SCHEMBL5325683 0.72 AKT1 (0.51) PIM1GSK3BAKT1AKT2ADORA2A
SCHEMBL5342016 0.70 DPP4 (0.48) DPP4DPP8DPP9KDM4ELMNA
SCHEMBL5341130 0.69 ADORA2A (0.39) MAPK13MAP4K4FGFR1CSNK1DGSK3B
SCHEMBL5342418 0.69 DPP4 (0.56) AKT1AKT2DPP4DPP8DPP9
SCHEMBL5322377 0.68 AKT1 (0.50) FYNGSK3BAKT1AKT2KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007096764-A2 BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS S.A. (US) 2007-08-30 — — WO disclosed
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