SCHEMBL29638388

SCHEMBL29638388

CC(=O)Nc1cccc(-n2[nH]c(=O)c3cnc(Nc4cc(C)nc(C)n4)cc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.41
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
PIK3CA P42336 2/20 0.40
PRKDC P78527 1/20 0.40
TP53 P04637 3/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
GFER P55789 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL29638325 0.85 TP53 (0.39) PIK3CATP53GAAEGFRPIK3CG
SCHEMBL29638412 0.85 AKR1C3 (0.44) TP53L3MBTL1GAANPC1RAB9A
SCHEMBL24557361 0.85 MAPT (0.45) NOX4PRKDCGAANPC1RAB9A
SCHEMBL29638464 0.84 NPC1 (0.41) TP53L3MBTL1GAANPC1RAB9A
SCHEMBL24557258 0.84 NPC1 (0.41) TP53L3MBTL1GAANPC1RAB9A
SCHEMBL24557263 0.84 TYK2 (0.39) GAAMAPTFYNSRCJAK1
SCHEMBL29638451 0.84 TYK2 (0.39) GAAMAPTFYNSRCJAK1
SCHEMBL29638352 0.83 ABCG2 (0.37) TP53GAAEGFRFYNMAPK13
SCHEMBL24557308 0.83 TYK2 (0.40) GABRG2GABRB3GABRA5PIK3CAPRKDC
SCHEMBL29638404 0.83 TYK2 (0.40) GABRG2GABRB3GABRA5PIK3CAPRKDC

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-2022136914-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2022-06-30 WO disclosed