SCHEMBL31455172

SCHEMBL31455172

COC(=O)C1CCC(N(C)Cc2ccc(Nc3nc(-c4ccccc4)ccc3N)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MCHR1 Q99705 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CPB1 P15086 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
JAK1 P23458 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE5A O76074 1/20 0.34
ABCC1 P33527 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
JAK2 O60674 1/20 0.34

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
SCHEMBL31455425 0.86 GSK3B (0.36) LTA4HMCHR1ALDH1A1MAPTHPGD
SCHEMBL31420369 0.83 NAAA (0.40) L3MBTL1CYP2D6CYP2C19MCHR1ALDH1A1
SCHEMBL31455090 0.77 LTA4H (0.47) LTA4HALDH1A1MAPTHPGDNPSR1
SCHEMBL31455366 0.77 ALDH1A1 (0.61) L3MBTL1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL25928005 0.77 ALDH1A1 (0.50) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL8949097 0.77 ALDH1A1 (0.50) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL31455623 0.74 ALDH1A1 (0.53) ALDH1A1MAPTHPGDHSD17B10TDP1
SCHEMBL31455034 0.72 ALDH1A1 (0.39) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL25385310 0.72 ABCG2 (0.61) L3MBTL1ALDH1A1MAPTHPGDNPSR1
SCHEMBL31455169 0.72 ABCG2 (0.61) L3MBTL1ALDH1A1MAPTHPGDNPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed