SCHEMBL29638413

SCHEMBL29638413

COc1cccc(-n2[nH]c(=O)c3cnc(Nc4cc(OC)ncn4)cc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
PLK1 P53350 1/20 0.39
PIK3CA P42336 3/20 0.38
PRKDC P78527 3/20 0.38
EGFR P00533 6/20 0.38
ERBB3 P21860 5/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRA6 Q16445 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL24557278 1.00 MEN1 (0.39) MEN1RAB9AKMT2ANPC1PLK1
SCHEMBL24557285 0.90 PLK1 (0.41) MEN1RAB9AKMT2ANPC1PLK1
SCHEMBL29638426 0.90 PLK1 (0.41) MEN1RAB9AKMT2ANPC1PLK1
SCHEMBL29638395 0.87 LYN (0.42) MEN1RAB9AKMT2ANPC1PLK1
SCHEMBL24557289 0.87 LYN (0.42) MEN1RAB9AKMT2ANPC1PLK1
SCHEMBL24557279 0.86 MEN1 (0.42) MEN1RAB9AKMT2APLK1PIK3CA
SCHEMBL29638478 0.86 MEN1 (0.42) MEN1RAB9AKMT2APLK1PIK3CA
SCHEMBL24557271 0.86 SRC (0.46) MEN1RAB9AKMT2APLK1PIK3CA
SCHEMBL29638496 0.86 SRC (0.46) MEN1RAB9AKMT2APLK1PIK3CA
SCHEMBL24557282 0.84 POLB (0.42) MEN1RAB9AKMT2APLK1PIK3CA

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