SCHEMBL29638334

SCHEMBL29638334

COc1cccc(-n2[nH]c(=O)c3cnc(Nc4ccc(C#N)cn4)cc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.44
TYK2 P29597 5/20 0.44
TDP2 O95551 1/20 0.42
JAK1 P23458 1/20 0.39
STAT3 P40763 1/20 0.39
KCNH2 Q12809 1/20 0.39
GSK3B P49841 1/20 0.39
MMP13 P45452 1/20 0.38
PLK1 P53350 2/20 0.37
PRKDC P78527 3/20 0.36
PIK3CA P42336 2/20 0.36
LYN P07948 1/20 0.36
SRC P12931 1/20 0.36
BTK Q06187 1/20 0.36
CCR6 P51684 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 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
SCHEMBL24557276 1.00 IDH1 (0.44) IDH1TYK2TDP2JAK1STAT3
SCHEMBL24557284 0.90 TDP2 (0.42) IDH1TDP2MMP13PLK1PRKDC
SCHEMBL29638496 0.88 SRC (0.46) TYK2JAK1KCNH2PLK1PRKDC
SCHEMBL24557271 0.88 SRC (0.46) TYK2JAK1KCNH2PLK1PRKDC
SCHEMBL29638480 0.85 BTK (0.45) TYK2JAK1PLK1PRKDCPIK3CA
SCHEMBL24557272 0.85 BTK (0.45) TYK2JAK1PLK1PRKDCPIK3CA
SCHEMBL29638395 0.84 LYN (0.42) GSK3BPLK1PRKDCPIK3CALYN
SCHEMBL24557289 0.84 LYN (0.42) GSK3BPLK1PRKDCPIK3CALYN
SCHEMBL24557282 0.84 POLB (0.42) TYK2JAK1PLK1PRKDCPIK3CA
SCHEMBL29638556 0.84 POLB (0.42) TYK2JAK1PLK1PRKDCPIK3CA

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