SCHEMBL21589429

SCHEMBL21589429

N/N=C(\NN)c1cccc(-n2c(SCC(=O)Nc3nccs3)nc3nccnc3c2=O)c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3C2A O00443 14/20 0.71
▸ PIK3C2B O00750 1/20 0.57
▸ PIK3C2G O75747 1/20 0.57
▸ NPC1 O15118 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TSHR P16473 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL21586309 0.83 PIK3C2A (1.00) PIK3C2APIK3C2BPIK3C2GGAARAB9A
SCHEMBL30003012 0.83 PIK3C2A (1.00) PIK3C2APIK3C2BPIK3C2GGAARAB9A
SCHEMBL21586325 0.83 PIK3C2A (0.85) PIK3C2APIK3C2BPIK3C2GGAATSHR
SCHEMBL30003161 0.83 PIK3C2A (0.85) PIK3C2APIK3C2BPIK3C2GGAATSHR
SCHEMBL21586266 0.80 PIK3C2A (0.80) PIK3C2APIK3C2BPIK3C2GTSHRKMT2A
SCHEMBL30003329 0.80 PIK3C2A (0.80) PIK3C2APIK3C2BPIK3C2GTSHRKMT2A
SCHEMBL21589426 0.78 PIK3C2A (0.70) PIK3C2APIK3C2BPIK3C2GNPC1LMNA
SCHEMBL21589486 0.77 PIK3C2A (0.77) PIK3C2APIK3C2BPIK3C2GGAATSHR
SCHEMBL21586317 0.77 PIK3C2A (0.77) PIK3C2APIK3C2BPIK3C2GGAATSHR
SCHEMBL30002964 0.77 PIK3C2A (0.77) PIK3C2APIK3C2BPIK3C2GGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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