SCHEMBL28755148

SCHEMBL28755148

Cn1c(=O)c2c(NCC(=O)Nc3ccc(F)cc3)cc(N3CCCC3)nc2n(C)c1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.51
▸ PIK3CD O00329 2/20 0.47
▸ PIK3CB P42338 2/20 0.47
▸ TRPA1 O75762 1/20 0.43
▸ LMNA P02545 4/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 3/20 0.42
▸ USP2 O75604 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.41
▸ AKT1 P31749 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL29671958 1.00 MAPT (0.51) MAPTPIK3CDPIK3CBTRPA1LMNA
SCHEMBL28755228 0.94 MAPT (0.50) MAPTPIK3CDPIK3CBTRPA1LMNA
SCHEMBL29672019 0.94 MAPT (0.50) MAPTPIK3CDPIK3CBTRPA1LMNA
SCHEMBL28755300 0.92 PIK3CD (0.57) MAPTPIK3CDPIK3CBLMNANPSR1
SCHEMBL29671952 0.92 PIK3CD (0.57) MAPTPIK3CDPIK3CBLMNANPSR1
SCHEMBL28755140 0.92 MEN1 (0.48) MAPTLMNATP53TSHRUSP2
SCHEMBL29671961 0.92 MEN1 (0.48) MAPTLMNATP53TSHRUSP2
SCHEMBL29671971 0.91 MAPT (0.42) MAPTPIK3CDPIK3CBLMNATP53
SCHEMBL29671839 0.91 MAPT (0.47) MAPTPIK3CDPIK3CBLMNATP53
SCHEMBL28755227 0.91 MAPT (0.47) MAPTPIK3CDPIK3CBLMNATP53

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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