SCHEMBL21623037

SCHEMBL21623037

COC(=O)c1cc(OC)c(C(OC)OC)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 0.44
▸ LCK P06239 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.40
▸ GABRA1 P14867 3/20 0.40
▸ GABRG2 P18507 3/20 0.40
▸ GABRB3 P28472 3/20 0.40
▸ GABRA5 P31644 3/20 0.40
▸ GABRA3 P34903 3/20 0.40
▸ GABRA2 P47869 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ GABRP O00591 2/20 0.40
▸ GABRD O14764 2/20 0.40
▸ GABRB1 P18505 2/20 0.40
▸ GABRB2 P47870 2/20 0.40
▸ GABRA4 P48169 2/20 0.40
▸ GABRE P78334 2/20 0.40
▸ GABRA6 Q16445 2/20 0.40
▸ GABRG1 Q8N1C3 2/20 0.40
▸ GABRG3 Q99928 2/20 0.40
▸ GABRQ Q9UN88 2/20 0.40

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
SCHEMBL30836813 0.92 MAPK1 (0.45) MAPK1LCKKDM4EGABRA1GABRG2
SCHEMBL21616774 0.85 GPR35 (0.43) MAPK1KDM4EALDH1A1PKML3MBTL1
SCHEMBL30340453 0.85 GPR35 (0.43) MAPK1KDM4EALDH1A1PKML3MBTL1
SCHEMBL21622928 0.81 MAPK1 (0.44) MAPK1LCKKDM4EGABRA1GABRG2
SCHEMBL23714349 0.78 MAPK1 (0.47) MAPK1LCKKDM4EGABRA1GABRG2
SCHEMBL5808455 0.78 LCK (0.53) MAPK1LCKKDM4EGABRA1GABRG2
SCHEMBL30111868 0.78 MAPK1 (0.47) MAPK1LCKKDM4EGABRA1GABRG2
SCHEMBL21045659 0.77 TRPC6 (0.48) MAPK1LCKKDM4EGABRA1GABRG2
SCHEMBL28476138 0.77 MAPK1 (0.41) MAPK1LCKKDM4EGABRA1GABRG2
SCHEMBL18340557 0.77 MAPK1 (0.46) MAPK1LCKKDM4EGABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4694981-A1 HETEROCYCLIC COMPOUNDS AS DUAL INHIBITORS OF PD-L1 AND ADENOSINE RECEPTORS Aurigene Oncology Limited (IN) 2026-02-18 — — EP disclosed
WO-2024214088-A1 HETEROCYCLIC COMPOUNDS AS DUAL INHIBITORS OF PD-L1 AND ADENOSINE RECEPTORS AURIGENE ONCOLOGY LIMITED (IN) 2024-10-17 — — WO disclosed
WO-2020011209-A1 IMMUNOSUPPRESSIVE AGENT, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 上海和誉生物医药科技有限公司 2020-01-16 — — WO disclosed
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