SCHEMBL21586285

SCHEMBL21586285

O=C(CSc1nc2nccnc2c(=O)n1C1CC(C(=O)O)C1)Nc1nccs1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3C2A O00443 15/20 0.75
▸ PIK3C2B O00750 1/20 0.61
▸ PIK3C2G O75747 1/20 0.61
▸ ALDH1A1 P00352 3/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ PKM P14618 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MAPT P10636 1/20 0.46

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
SCHEMBL21589383 0.90 PIK3C2A (0.72) PIK3C2APIK3C2BPIK3C2GALDH1A1ALOX15
SCHEMBL27224597 0.90 PIK3C2A (0.72) PIK3C2APIK3C2BPIK3C2GALDH1A1ALOX15
SCHEMBL21586289 0.87 PIK3C2A (0.72) PIK3C2APIK3C2BPIK3C2GALDH1A1ALOX15
SCHEMBL21586351 0.86 PIK3C2A (1.00) PIK3C2APIK3C2BPIK3C2GALDH1A1ALOX15
SCHEMBL30002990 0.86 PIK3C2A (1.00) PIK3C2APIK3C2BPIK3C2GALDH1A1ALOX15
SCHEMBL30003412 0.84 PIK3C2A (1.00) PIK3C2APIK3C2BPIK3C2GHSD17B10MAPT
SCHEMBL21586313 0.84 PIK3C2A (1.00) PIK3C2APIK3C2BPIK3C2GHSD17B10MAPT
SCHEMBL30002913 0.80 PIK3C2A (0.73) PIK3C2APIK3C2BPIK3C2GMAPT
SCHEMBL21586316 0.80 PIK3C2A (0.73) PIK3C2APIK3C2BPIK3C2GMAPT
SCHEMBL21589381 0.80 PIK3C2A (0.67) PIK3C2APIK3C2BPIK3C2GALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802530-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS Forschungsverbund Berlin E.V. (DE) 2021-04-14 — — EP disclosed
WO-2019234237-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-12-12 — — WO disclosed
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