SCHEMBL25229548

SCHEMBL25229548

COc1cnc2ccn(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KDR P35968 2/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ HCK P08631 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ EPHB4 P54760 1/20 0.37

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
SCHEMBL20483115 0.83 KDM4E (0.39) ALDH1A1KDM4EGABRG2GABRB3GABRA5
SCHEMBL25909811 0.83 HSP90AA1 (0.41) ALDH1A1KDM4EGABRG2GABRB3GABRA5
SCHEMBL27361311 0.82 MET (0.46) ALDH1A1KDM4EGABRG2GABRB3GABRA5
SCHEMBL22158223 0.82 ALDH1A1 (0.41) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL31194316 0.82 MET (0.43) ALDH1A1KDM4EGABRG2GABRB3GABRA5
SCHEMBL31194282 0.81 GABRG2 (0.39) ALDH1A1KDM4EGABRG2GABRB3GABRA5
SCHEMBL25702072 0.80 APP (0.39) ALDH1A1KDM4EHPGDPDE10AMAPT
SCHEMBL23347080 0.79 KDR (0.39) ALDH1A1F2GLAHPGDKDR
SCHEMBL19707129 0.79 MET (0.39) ALDH1A1KDM4EGABRG2GABRB3GABRA5
SCHEMBL29650289 0.79 MET (0.39) ALDH1A1KDM4EGABRG2GABRB3GABRA5

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-4448105-A1 HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF DISEASE VIR Biotechnology, Inc. (US) 2024-10-23 — — EP disclosed
WO-2023114428-A1 HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF DISEASE Vir Biotechnology, Inc. (US) 2023-06-22 — — WO disclosed
WO-2023114428-A1 HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF DISEASE Vir Biotechnology, Inc. (US) 2023-06-22 — — WO disclosed
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