SCHEMBL2791778

SCHEMBL2791778

Cc1ncn2c1c(C)nc1c(Cl)cc(C(F)(F)F)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 7/20 0.53
▸ PDE10A Q9Y233 5/20 0.53
▸ GABRB3 P28472 5/20 0.39
▸ LCK P06239 1/20 0.36
▸ KIF20B Q96Q89 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ GABRA2 P47869 4/20 0.35
▸ GABRB2 P47870 4/20 0.35
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA4 P48169 1/20 0.35
▸ GABRE P78334 1/20 0.35
▸ GABRA6 Q16445 1/20 0.35
▸ GABRG1 Q8N1C3 1/20 0.35

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
SCHEMBL3325917 0.79 PDE2A (0.42) PDE2APDE10AGABRB3MKNK1MKNK2
SCHEMBL2791202 0.78 PDE2A (0.60) PDE2APDE10AGABRB3GABRA2GABRB2
SCHEMBL7808426 0.70 PDE10A (1.00) PDE2APDE10A
SCHEMBL3662318 0.68 PDE10A (0.43) PDE2APDE10ALCK
SCHEMBL3323718 0.66 PDE2A (0.51) PDE2APDE10AGABRB3
SCHEMBL7812114 0.65 PDE2A (0.38) PDE2APDE10AGABRB3KIF20BGABRA2
SCHEMBL7914751 0.63 PDE2A (0.51) PDE2APDE10A
SCHEMBL166766 0.62 ALDH1A1 (0.53) —
SCHEMBL8321562 0.62 PDE2A (0.44) PDE2AGABRB3GABRA2GABRB2GABRP
SCHEMBL23690320 0.62 PDE2A (0.38) PDE2APDE10AGABRB3KIF20BGABRA2

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