SCHEMBL28755228

SCHEMBL28755228

CN1CCN(c2cc(NCC(=O)Nc3ccc(F)cc3)c3c(=O)n(C)c(=O)n(C)c3n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.50
▸ MCHR1 Q99705 1/20 0.49
▸ PIK3CD O00329 2/20 0.46
▸ PIK3CB P42338 2/20 0.46
▸ TP53 P04637 4/20 0.45
▸ DPP4 P27487 1/20 0.42
▸ RET P07949 1/20 0.42
▸ TRPA1 O75762 1/20 0.42
▸ LMNA P02545 4/20 0.41
▸ THRB P10828 1/20 0.41
▸ AKT1 P31749 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL29672019 1.00 MAPT (0.50) MAPTMCHR1PIK3CDPIK3CBTP53
SCHEMBL28755148 0.94 MAPT (0.51) MAPTMCHR1PIK3CDPIK3CBTP53
SCHEMBL29671958 0.94 MAPT (0.51) MAPTMCHR1PIK3CDPIK3CBTP53
SCHEMBL29671963 0.92 MEN1 (0.47) MAPTMCHR1TP53LMNATSHR
SCHEMBL28755158 0.92 MEN1 (0.47) MAPTMCHR1TP53LMNATSHR
SCHEMBL28755300 0.91 PIK3CD (0.57) MAPTPIK3CDPIK3CBDPP4LMNA
SCHEMBL29671952 0.91 PIK3CD (0.57) MAPTPIK3CDPIK3CBDPP4LMNA
SCHEMBL28755369 0.91 MAPT (0.45) MAPTMCHR1PIK3CDPIK3CBTP53
SCHEMBL29672039 0.91 MAPT (0.45) MAPTMCHR1PIK3CDPIK3CBTP53
SCHEMBL28942154 0.91 MAPT (0.46) MAPTMCHR1PIK3CDPIK3CBTP53

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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