SCHEMBL23500391

SCHEMBL23500391

Nc1nc(O)c2sc(I)cc2n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAP3K8 P41279 1/20 0.33
▸ APP P05067 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL23513916 0.81 DCPS (0.35) SMN1; SMN2
SCHEMBL16441111 0.78 SMN1; SMN2 (0.37) GAAHTTL3MBTL1SMN1; SMN2
SCHEMBL23500968 0.70 MAPK1 (0.34) —
SCHEMBL23500421 0.70 ILK (0.40) APPSMN1; SMN2
SCHEMBL23500558 0.69 NPC1 (0.40) APPSMN1; SMN2
SCHEMBL23500840 0.69 CXCR2 (0.39) APP
SCHEMBL23500158 0.69 NPC1 (0.40) APPSMN1; SMN2
SCHEMBL23500163 0.69 NPC1 (0.40) APPSMN1; SMN2
SCHEMBL23500838 0.69 CXCR2 (0.39) APP
SCHEMBL23513867 0.68 APP (0.50) APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555565-B Nitrogen-containing heterocyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-03-05 — — CN disclosed
CN-114555565-A Nitrogen-containing heterocyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2022-05-27 — — CN disclosed
WO-2021114691-A1 NITROGEN-CONTAINING RING-FUSED COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2021-06-17 — — WO disclosed
WO-2021114691-A1 NITROGEN-CONTAINING RING-FUSED COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2021-06-17 — — WO disclosed
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