SCHEMBL28755369

SCHEMBL28755369

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.45
▸ MCHR1 Q99705 5/20 0.44
▸ HTR2C P28335 2/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ TP53 P04637 3/20 0.43
▸ RAB9A P51151 1/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ NPBWR1 P48145 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL29672039 1.00 MAPT (0.45) MAPTMCHR1HTR2CHTR2AHTR2B
SCHEMBL29671971 0.94 MAPT (0.42) MAPTMCHR1TP53PIK3CDAKT1
SCHEMBL28755194 0.94 MAPT (0.42) MAPTMCHR1TP53PIK3CDAKT1
SCHEMBL28755158 0.92 MEN1 (0.47) MAPTMCHR1TP53RAB9ATSHR
SCHEMBL29671963 0.92 MEN1 (0.47) MAPTMCHR1TP53RAB9ATSHR
SCHEMBL28755225 0.91 AKT1 (0.51) MAPTMCHR1PIK3CDAKT1PIK3CA
SCHEMBL29671949 0.91 AKT1 (0.51) MAPTMCHR1PIK3CDAKT1PIK3CA
SCHEMBL29672019 0.91 MAPT (0.50) MAPTMCHR1TP53PIK3CDAKT1
SCHEMBL29671920 0.91 MAPT (0.46) MAPTMCHR1TP53RAB9APIK3CD
SCHEMBL28942154 0.91 MAPT (0.46) MAPTMCHR1TP53RAB9APIK3CD

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 3 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-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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