SCHEMBL28755219

SCHEMBL28755219

Cc1cccc(NC(=O)CNc2cc(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 8/20 0.54
▸ PIK3CD O00329 7/20 0.54
▸ AKT1 P31749 6/20 0.54
▸ PIK3CA P42336 5/20 0.54
▸ PIK3CG P48736 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ TSHR P16473 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL29671929 1.00 PIK3CB (0.54) PIK3CBPIK3CDAKT1PIK3CAPIK3CG
SCHEMBL29671980 0.92 SMN1; SMN2 (0.54) PIK3CBPIK3CDAKT1PIK3CAPIK3CG
SCHEMBL28755234 0.92 SMN1; SMN2 (0.54) PIK3CBPIK3CDAKT1PIK3CAPIK3CG
SCHEMBL28755090 0.92 SMN1; SMN2 (0.54) PIK3CBPIK3CDAKT1PIK3CAPIK3CG
SCHEMBL29671984 0.92 SMN1; SMN2 (0.54) PIK3CBPIK3CDAKT1PIK3CAPIK3CG
SCHEMBL28755139 0.91 PIK3CD (0.48) PIK3CBPIK3CDAKT1PIK3CAPIK3CG
SCHEMBL29671991 0.91 PIK3CD (0.48) PIK3CBPIK3CDAKT1PIK3CAPIK3CG
SCHEMBL29671886 0.89 AKT1 (0.55) PIK3CBPIK3CDAKT1SMN1; SMN2KMT2A
SCHEMBL28755083 0.89 AKT1 (0.55) PIK3CBPIK3CDAKT1SMN1; SMN2KMT2A
SCHEMBL28755300 0.86 PIK3CD (0.57) PIK3CBPIK3CDAKT1PIK3CAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114573582-B 1,2,3, 4-tetrahydropyrido [2,3-d ] pyrimidine compound and preparation method and application thereof 沈阳药科大学 2023-06-16 — — CN claimed
CN-114573582-A 1,2,3, 4-tetrahydropyrido [2,3-d ] pyrimidine compound and preparation method and application thereof 沈阳药科大学 2022-06-03 — — CN claimed
CN-114573582-B 1,2,3, 4-tetrahydropyrido [2,3-d ] pyrimidine compound and preparation method and application thereof 沈阳药科大学 2023-06-16 — — CN disclosed
CN-114573582-A 1,2,3, 4-tetrahydropyrido [2,3-d ] pyrimidine compound and preparation method and application thereof 沈阳药科大学 2022-06-03 — — CN disclosed
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