SCHEMBL29671839

SCHEMBL29671839

Cn1c(=O)c2c(NCC(=O)Nc3ccccc3)cc(N3CCCC3)nc2n(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ TSHR P16473 4/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ PIK3CD O00329 1/20 0.45
▸ AKT1 P31749 1/20 0.45
▸ PIK3CB P42338 1/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 3/20 0.45
▸ PKM P14618 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ BRPF1 P55201 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SLC2A1 P11166 2/20 0.42
▸ OPRK1 P41145 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
SCHEMBL28755227 1.00 MAPT (0.47) MAPTTSHRUSP2ALDH1A1PIK3CD
SCHEMBL28942154 0.94 MAPT (0.46) MAPTTSHRUSP2ALDH1A1PIK3CD
SCHEMBL29671920 0.94 MAPT (0.46) MAPTTSHRUSP2ALDH1A1PIK3CD
SCHEMBL28755140 0.92 MEN1 (0.48) MAPTTSHRUSP2ALDH1A1MEN1
SCHEMBL29671961 0.92 MEN1 (0.48) MAPTTSHRUSP2ALDH1A1MEN1
SCHEMBL28755234 0.91 SMN1; SMN2 (0.54) MAPTTSHRUSP2PIK3CDAKT1
SCHEMBL29671980 0.91 SMN1; SMN2 (0.54) MAPTTSHRUSP2PIK3CDAKT1
SCHEMBL29671971 0.91 MAPT (0.42) MAPTTSHRUSP2ALDH1A1PIK3CD
SCHEMBL28755148 0.91 MAPT (0.51) MAPTTSHRUSP2ALDH1A1PIK3CD
SCHEMBL29671958 0.91 MAPT (0.51) MAPTTSHRUSP2ALDH1A1PIK3CD

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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