SCHEMBL2791202

SCHEMBL2791202

Cc1nc(Br)n2c1c(C)nc1c(Cl)cc(C(F)(F)F)cc12

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 15/20 0.60
▸ PDE10A Q9Y233 10/20 0.60
▸ GABRB3 P28472 3/20 0.37
▸ PDE7A Q13946 1/20 0.36
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ GABRA4 P48169 1/20 0.34
▸ GABRE P78334 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34
▸ GABRG1 Q8N1C3 1/20 0.34
▸ GABRG3 Q99928 1/20 0.34
▸ GABRQ Q9UN88 1/20 0.34

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
SCHEMBL3323718 0.83 PDE2A (0.51) PDE2APDE10AGABRB3
SCHEMBL2791778 0.78 PDE2A (0.53) PDE2APDE10AGABRB3GABRPGABRD
SCHEMBL7808426 0.75 PDE10A (1.00) PDE2APDE10APDE7A
SCHEMBL968965 0.70 PDE10A (0.55) PDE2APDE10A
SCHEMBL7914751 0.69 PDE2A (0.51) PDE2APDE10A
SCHEMBL3326270 0.68 PDE2A (0.64) PDE2APDE10A
SCHEMBL3323059 0.67 PDE2A (0.62) PDE2APDE10A
SCHEMBL971266 0.64 PDE2A (0.56) PDE2APDE10APDE7A
SCHEMBL23690320 0.63 PDE2A (0.38) PDE2APDE10AGABRB3GABRPGABRD
SCHEMBL7812114 0.63 PDE2A (0.38) PDE2APDE10AGABRB3GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010138833-A1 SUBSTITUTED IMIDAZO[1,5-a]QUINOXALINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2010-12-02 — — WO disclosed
WO-2010138833-A1 SUBSTITUTED IMIDAZO[1,5-a]QUINOXALINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2010-12-02 — — WO disclosed
Send feedback