SCHEMBL28935935

SCHEMBL28935935

CC(C)n1cc(-c2ccc3oc(-c4ccnc(C=O)c4)nc3c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.40
▸ PIP5K1C O60331 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PI4KA P42356 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ MAOA P21397 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ NPC1 O15118 6/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ RAB9A P51151 6/20 0.36
▸ HSD17B10 Q99714 6/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ TP53 P04637 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ AAK1 Q2M2I8 3/20 0.35
▸ HPGD P15428 5/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35

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
SCHEMBL28707207 0.87 PIM1 (0.44) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL28706416 0.84 MAOA (0.43) PIK3CDPIP5K1CPIK3CAPI4KAPIK3CG
SCHEMBL29479615 0.84 MAOA (0.43) PIK3CDPIP5K1CPIK3CAPI4KAPIK3CG
SCHEMBL28701717 0.84 PIK3CD (0.40) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL28935891 0.82 HSPD1 (0.38) PIK3CANPC1ALDH1A1RAB9AHSD17B10
SCHEMBL28714673 0.81 GRK5 (0.49) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL31165937 0.80 GRK5 (0.44) —
SCHEMBL23012198 0.79 HPSE (0.40) PIK3CAMAOAADRA1ANPC1ALDH1A1
SCHEMBL29479730 0.79 HPSE (0.40) PIK3CAMAOAADRA1ANPC1ALDH1A1
SCHEMBL28713414 0.78 NPC1 (0.39) PIK3CDPIK3CAPI4KAPIK3CGPI4KB

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
CN-114269725-B Anti-influenza virus compound, preparation method and application thereof 西藏海思科制药有限公司 2024-09-17 — — CN disclosed
CN-114269725-A Anti-influenza virus compound and preparation method and application thereof 四川海思科制药有限公司 2022-04-01 — — CN disclosed
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