SCHEMBL22688908

SCHEMBL22688908

Nc1ccnc(N)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.48
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GABRP O00591 3/20 0.44
GABRD O14764 3/20 0.44
GABRA1 P14867 3/20 0.44
GABRB1 P18505 3/20 0.44
GABRG2 P18507 3/20 0.44
GABRB3 P28472 3/20 0.44
GABRA5 P31644 3/20 0.44
GABRA3 P34903 3/20 0.44
GABRA2 P47869 3/20 0.44
GABRB2 P47870 3/20 0.44
GABRA4 P48169 3/20 0.44
GABRE P78334 3/20 0.44
GABRA6 Q16445 3/20 0.44
GABRG1 Q8N1C3 3/20 0.44
GABRG3 Q99928 3/20 0.44
GABRQ Q9UN88 3/20 0.44
KDM4E B2RXH2 6/20 0.39

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
SCHEMBL15380562 0.83 MKNK1 (0.44) NAPRTHTTHSD17B10GABRPGABRD
SCHEMBL5355271 0.81 NAPRT (0.47) NAPRTHSD17B10GABRPGABRDGABRA1
SCHEMBL19857454 0.81 NAPRT (0.57) NAPRTHTTHSD17B10GABRPGABRD
SCHEMBL29860445 0.81 KDM4E (0.50) NAPRTHTTHSD17B10GABRPGABRD
SCHEMBL1243693 0.81 KDM4E (0.50) NAPRTHTTHSD17B10GABRPGABRD
SCHEMBL11895139 0.79 NAPRT (0.46) NAPRTHTTHSD17B10GABRPGABRD
SCHEMBL3426148 0.79 NAPRT (0.46) NAPRTHTTHSD17B10GABRPGABRD
SCHEMBL5249643 0.79 NAPRT (0.46) NAPRTGABRPGABRDGABRA1GABRB1
SCHEMBL11819966 0.79 NAPRT (0.46) NAPRTHSD17B10GABRPGABRDGABRA1
SCHEMBL1260539 0.79 NOS2 (0.52) NAPRTGABRPGABRDGABRA1GABRB1

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-2020233676-A1 AMIDE-SUBSTITUTED IMIDAZO COMPOUNDS AS SELECTIVE INHIBITORS OF INDOLEAMINE 2, 3-DIOXYGENASES BEIGENE, LTD. (KY) 2020-11-26 WO disclosed
CN-102718745-A Novel amino pyridine compound, its preparation method, pharmaceutical composition containing compound and application thereof SHANGHAI INST MATERIA MEDICA 2012-10-10 CN disclosed