SCHEMBL29638464

SCHEMBL29638464

Cc1cc(Nc2cc3c(cn2)c(=O)[nH]n3-c2ccccc2)nc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
LOX P28300 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
TYK2 P29597 4/20 0.39
GAA P10253 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LDHA P00338 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.38
BTK Q06187 4/20 0.36
LYN P07948 2/20 0.36
SRC P12931 2/20 0.36
AKR1C3 P42330 1/20 0.36
MAP4K4 O95819 1/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 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
SCHEMBL24557258 1.00 NPC1 (0.41) NPC1RAB9AALDH1A1TP53LOX
SCHEMBL29638414 0.90 TYK2 (0.35) TYK2GAAPOLBBTKLYN
SCHEMBL29638452 0.89 TYK2 (0.35) TYK2GAALDHAPOLBBTK
SCHEMBL24557360 0.89 TYK2 (0.35) TYK2GAALDHAPOLBBTK
SCHEMBL24557361 0.89 MAPT (0.45) NPC1RAB9ATYK2GAAPOLB
SCHEMBL29638437 0.89 HPGD (0.40) NPC1RAB9AALDH1A1TP53TYK2
SCHEMBL24557263 0.89 TYK2 (0.39) ALDH1A1TYK2GAAPOLBBTK
SCHEMBL29638451 0.89 TYK2 (0.39) ALDH1A1TYK2GAAPOLBBTK
SCHEMBL29638412 0.88 AKR1C3 (0.44) NPC1RAB9AALDH1A1TP53TYK2
SCHEMBL24557308 0.88 TYK2 (0.40) ALDH1A1TP53TYK2MEN1KMT2A

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