SCHEMBL29638313

SCHEMBL29638313

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LYN P07948 2/20 0.48
SRC P12931 2/20 0.48
BTK Q06187 2/20 0.48
EGFR P00533 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ROCK1 Q13464 1/20 0.39
PLK1 P53350 1/20 0.38
PIK3CA P42336 2/20 0.38
PRKDC P78527 2/20 0.38
MAP4K1 Q92918 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.37
CYP1A2 P05177 1/20 0.37
KDR P35968 1/20 0.37
POLB P06746 1/20 0.37
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 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
SCHEMBL24557286 1.00 LYN (0.48) LYNSRCBTKEGFRMEN1
SCHEMBL24557288 0.91 LYN (0.40) LYNSRCBTKEGFRMEN1
SCHEMBL29638433 0.91 LYN (0.40) LYNSRCBTKEGFRMEN1
SCHEMBL29638478 0.90 MEN1 (0.42) LYNSRCBTKMEN1GAA
SCHEMBL24557279 0.90 MEN1 (0.42) LYNSRCBTKMEN1GAA
SCHEMBL24557289 0.86 LYN (0.42) LYNSRCBTKMEN1GAA
SCHEMBL29638395 0.86 LYN (0.42) LYNSRCBTKMEN1GAA
SCHEMBL24557282 0.86 POLB (0.42) LYNSRCBTKMEN1GAA
SCHEMBL29638400 0.86 LYN (0.42) LYNSRCBTKMEN1GAA
SCHEMBL29638556 0.86 POLB (0.42) LYNSRCBTKMEN1GAA

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