SCHEMBL28755175

SCHEMBL28755175

Cn1c(=O)c2c(NCC(=O)Nc3ccc(C(F)(F)F)cc3)cc(N3CCOCC3)nc2n(C)c1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.51
▸ TSHR P16473 2/20 0.51
▸ PIK3CD O00329 4/20 0.47
▸ PIK3CB P42338 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ MCHR1 Q99705 3/20 0.46
▸ AKT1 P31749 7/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ TRPA1 O75762 1/20 0.43
▸ STAT3 P40763 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ PIK3CG P48736 1/20 0.42

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
SCHEMBL29671962 1.00 LMNA (0.51) LMNATSHRPIK3CDPIK3CBMAPT
SCHEMBL29671970 0.92 LMNA (0.52) LMNATSHRMAPTMCHR1TRPA1
SCHEMBL28755231 0.92 LMNA (0.52) LMNATSHRMAPTMCHR1TRPA1
SCHEMBL29671886 0.91 AKT1 (0.55) LMNAPIK3CDPIK3CBMAPTAKT1
SCHEMBL28755083 0.91 AKT1 (0.55) LMNAPIK3CDPIK3CBMAPTAKT1
SCHEMBL28755300 0.91 PIK3CD (0.57) LMNAPIK3CDPIK3CBMAPTAKT1
SCHEMBL29671952 0.91 PIK3CD (0.57) LMNAPIK3CDPIK3CBMAPTAKT1
SCHEMBL28755139 0.90 PIK3CD (0.48) PIK3CDPIK3CBMAPTAKT1PIK3CA
SCHEMBL29671991 0.90 PIK3CD (0.48) PIK3CDPIK3CBMAPTAKT1PIK3CA
SCHEMBL28755225 0.89 AKT1 (0.51) LMNATSHRPIK3CDPIK3CBMAPT

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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