SCHEMBL29638433

SCHEMBL29638433

COc1cccc(-n2[nH]c(=O)c3cnc(Nc4ccnc(C)n4)cc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LYN P07948 1/20 0.40
SRC P12931 1/20 0.40
BTK Q06187 1/20 0.40
PLK1 P53350 1/20 0.39
EGFR P00533 1/20 0.39
PIK3C3 Q8NEB9 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3CA P42336 3/20 0.39
PRKDC P78527 3/20 0.39
ROCK1 Q13464 1/20 0.39
CYP1A2 P05177 1/20 0.38
DCTPP1 Q9H773 2/20 0.37
ALKBH5 Q6P6C2 1/20 0.36
KDR P35968 1/20 0.36
POLB P06746 1/20 0.36
MTOR P42345 1/20 0.36

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
SCHEMBL24557288 1.00 LYN (0.40) LYNSRCBTKPLK1EGFR
SCHEMBL24557286 0.91 LYN (0.48) LYNSRCBTKPLK1EGFR
SCHEMBL29638313 0.91 LYN (0.48) LYNSRCBTKPLK1EGFR
SCHEMBL29638478 0.89 MEN1 (0.42) LYNSRCBTKPLK1MEN1
SCHEMBL24557279 0.89 MEN1 (0.42) LYNSRCBTKPLK1MEN1
SCHEMBL24557308 0.88 TYK2 (0.40) PLK1MEN1MAPTKMT2APIK3CA
SCHEMBL29638404 0.88 TYK2 (0.40) PLK1MEN1MAPTKMT2APIK3CA
SCHEMBL24557289 0.85 LYN (0.42) LYNSRCBTKPLK1MEN1
SCHEMBL29638395 0.85 LYN (0.42) LYNSRCBTKPLK1MEN1
SCHEMBL24557282 0.85 POLB (0.42) LYNSRCBTKPLK1MEN1

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