SCHEMBL29671952

SCHEMBL29671952

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 7/20 0.57
▸ PIK3CB P42338 7/20 0.57
▸ AKT1 P31749 14/20 0.51
▸ PIK3CA P42336 4/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ MAPT P10636 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ PIK3CG P48736 1/20 0.46
▸ DPP4 P27487 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ ATM Q13315 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
SCHEMBL28755300 1.00 PIK3CD (0.57) PIK3CDPIK3CBAKT1PIK3CACYP3A4
SCHEMBL28755139 0.92 PIK3CD (0.48) PIK3CDPIK3CBAKT1PIK3CACYP3A4
SCHEMBL29671991 0.92 PIK3CD (0.48) PIK3CDPIK3CBAKT1PIK3CACYP3A4
SCHEMBL29671958 0.92 MAPT (0.51) PIK3CDPIK3CBAKT1PIK3CACYP3A4
SCHEMBL28755148 0.92 MAPT (0.51) PIK3CDPIK3CBAKT1PIK3CACYP3A4
SCHEMBL28755225 0.91 AKT1 (0.51) PIK3CDPIK3CBAKT1PIK3CACYP3A4
SCHEMBL29671949 0.91 AKT1 (0.51) PIK3CDPIK3CBAKT1PIK3CACYP3A4
SCHEMBL28755228 0.91 MAPT (0.50) PIK3CDPIK3CBAKT1PIK3CACYP3A4
SCHEMBL29672019 0.91 MAPT (0.50) PIK3CDPIK3CBAKT1PIK3CACYP3A4
SCHEMBL28755175 0.91 LMNA (0.51) PIK3CDPIK3CBAKT1PIK3CACYP3A4

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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