SCHEMBL28755234

SCHEMBL28755234

Cc1cccc(NC(=O)CNc2cc(N3CCCC3)nc3c2c(=O)n(C)c(=O)n3C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ GAA P10253 2/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ PIK3CD O00329 1/20 0.44
▸ AKT1 P31749 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ DRD2 P14416 2/20 0.42
▸ DRD4 P21917 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 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
SCHEMBL29671980 1.00 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1GAANPC1RAB9A
SCHEMBL28755090 0.94 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1GAANPC1RAB9A
SCHEMBL29671984 0.94 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1GAANPC1RAB9A
SCHEMBL29671929 0.92 PIK3CB (0.54) SMN1; SMN2NPC1RAB9APIK3CDAKT1
SCHEMBL28755219 0.92 PIK3CB (0.54) SMN1; SMN2NPC1RAB9APIK3CDAKT1
SCHEMBL29671839 0.91 MAPT (0.47) SMN1; SMN2L3MBTL1GAARAB9ATP53
SCHEMBL28755227 0.91 MAPT (0.47) SMN1; SMN2L3MBTL1GAARAB9ATP53
SCHEMBL28755392 0.90 ALDH1A1 (0.46) SMN1; SMN2L3MBTL1GAATP53PIK3CD
SCHEMBL29671961 0.90 MEN1 (0.48) SMN1; SMN2TP53MAPTUSP2TSHR
SCHEMBL28755140 0.90 MEN1 (0.48) SMN1; SMN2TP53MAPTUSP2TSHR

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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