SCHEMBL9753957

SCHEMBL9753957

O=C(O)c1ccc2ncc(C(=O)O)n2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
TGFBR1 P36897 7/20 0.48
ADORA2A P29274 1/20 0.43
AKR1B1 P15121 1/20 0.41
P4HA1 P13674 2/20 0.41
P4HTM Q9NXG6 2/20 0.41
TGFBR2 P37173 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EPHB3 P54753 1/20 0.40
MIF P14174 1/20 0.40
CLK1 P49759 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 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
SCHEMBL9941554 0.88 TGFBR1 (0.49) KDM4ETGFBR1TGFBR2
SCHEMBL14738941 0.88 TGFBR1 (0.48) KDM4ETGFBR1ADORA2ATGFBR2NPC1
SCHEMBL14741675 0.85 TGFBR1 (0.45) KDM4ETGFBR1ADORA2ATGFBR2
SCHEMBL27077073 0.82 TGFBR1 (0.48) TGFBR1ADORA2ATGFBR2EPHB3CLK1
SCHEMBL14427932 0.82 KDM4E (0.43) KDM4ETGFBR1ADORA2ACLK1ALPG
SCHEMBL5028521 0.81 TGFBR1 (0.53) KDM4ETGFBR1NPC1RAB9A
SCHEMBL16051543 0.81 KDM4E (0.49) KDM4ETGFBR1AKR1B1P4HA1P4HTM
SCHEMBL21816422 0.81 KDM4E (0.49) KDM4ETGFBR1AKR1B1P4HA1P4HTM
SCHEMBL2817471 0.81 ADORA2A (0.54) KDM4ETGFBR1ADORA2ATGFBR2
SCHEMBL19863350 0.81 TGFBR1 (0.47) KDM4ETGFBR1TGFBR2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP claimed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO claimed
CN-113831337-B GLP-1 receptor agonist, and pharmaceutical composition and use thereof 广州市恒诺康医药科技有限公司 2023-03-24 CN disclosed
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP disclosed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO disclosed