SCHEMBL21101406

SCHEMBL21101406

CCc1nc2c3nccnc3ccc2n1C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.53
TLR7 Q9NYK1 2/20 0.36
MCHR1 Q99705 1/20 0.36
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DHFR P00374 1/20 0.32
RECQL P46063 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL10277559 0.85 PDE10A (0.52) PDE10ATLR7NPC1RAB9ATP53
SCHEMBL28454970 0.76 PDE10A (0.43) PDE10AMAPTNPC1GAADHFR
SCHEMBL27940721 0.73 PDE10A (0.41) PDE10AMAPTRAB9AGAA
SCHEMBL10277451 0.72 PDE10A (0.41) PDE10AMAPTNPC1RAB9AGAA
SCHEMBL22844082 0.71 ADORA2A (0.35) TLR7
SCHEMBL10309446 0.71 PDE10A (1.00) PDE10ATLR7
SCHEMBL23105463 0.70 TLR8 (0.50) PDE10ATLR7MAPT
SCHEMBL10345238 0.70 PDE10A (0.72) PDE10ATLR7MAPTLMNA
SCHEMBL9847092 0.69 TLR8 (0.48) PDE10ANPC1RAB9AGAARECQL
SCHEMBL87693 0.68 MAPT (0.50) MAPTNPC1TP53LMNA

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
EP-3210984-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-06-19 EP disclosed