SCHEMBL27034701

SCHEMBL27034701

Nc1nc2ccc(-c3nn[nH]n3)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 9/20 0.60
▸ PI4KB Q9UBF8 9/20 0.60
▸ PIK3CD O00329 9/20 0.60
▸ PIK3CG P48736 8/20 0.60
▸ PIP5K1C O60331 4/20 0.60
▸ PIK3CA P42336 10/20 0.55
▸ PIK3CB P42338 6/20 0.54
▸ MAPT P10636 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ RAB9A P51151 1/20 0.47
▸ AXL P30530 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL31404204 1.00 PI4KA (0.60) PI4KAPI4KBPIK3CDPIK3CGPIP5K1C
SCHEMBL5532470 0.79 PIK3CA (0.82) PI4KAPI4KBPIK3CDPIK3CGPIP5K1C
SCHEMBL29646253 0.79 PIK3CA (0.82) PI4KAPI4KBPIK3CDPIK3CGPIP5K1C
SCHEMBL27586269 0.77 HSD17B10 (0.64) PIK3CGPIK3CAMAPTHSD17B10TDP1
SCHEMBL16296381 0.73 PIK3CA (0.77) PI4KAPI4KBPIK3CDPIK3CGPIP5K1C
SCHEMBL7545220 0.72 HSD17B10 (0.45) HSD17B10
SCHEMBL8773471 0.71 PIK3CA (1.00) PI4KAPI4KBPIK3CDPIK3CGPIP5K1C
SCHEMBL28114025 0.71 PI4KA (0.55) PI4KAPI4KBPIK3CDPIK3CGPIP5K1C
SCHEMBL25303570 0.70 MAPT (0.74) PI4KAPI4KBPIK3CDPIK3CGPIP5K1C
SCHEMBL9722748 0.70 PIK3CA (0.73) PI4KAPI4KBPIK3CDPIK3CGPIP5K1C

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-4558494-A1 1,3,4-OXADIAZOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE 6 INHIBITORS ITALFARMACO S.p.A. (IT) 2025-05-28 — — EP disclosed
WO-2024017897-A1 1,3,4-OXADIAZOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE 6 INHIBITORS ITALFARMACO S.P.A. (IT) 2024-01-25 — — WO disclosed
WO-2024017897-A1 1,3,4-OXADIAZOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE 6 INHIBITORS ITALFARMACO S.P.A. (IT) 2024-01-25 — — WO disclosed
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