SCHEMBL29638412

SCHEMBL29638412

Cc1cc(Nc2cc3c(cn2)c(=O)[nH]n3-c2cccc(C(=O)O)c2)nc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
TP53 P04637 2/20 0.39
TYK2 P29597 5/20 0.37
JAK1 P23458 1/20 0.37
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MYC P01106 1/20 0.36
HSPA1A P0DMV8 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
NR4A1 P22736 1/20 0.36
PTPN7 P35236 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL29638325 0.93 TP53 (0.39) AKR1C3TP53TYK2JAK1POLB
SCHEMBL24557258 0.88 NPC1 (0.41) AKR1C3TP53TYK2POLBGAA
SCHEMBL29638464 0.88 NPC1 (0.41) AKR1C3TP53TYK2POLBGAA
SCHEMBL24557361 0.86 MAPT (0.45) TYK2POLBGAAMEN1KMT2A
SCHEMBL29638451 0.85 TYK2 (0.39) TYK2JAK1POLBGAAKDM4E
SCHEMBL24557263 0.85 TYK2 (0.39) TYK2JAK1POLBGAAKDM4E
SCHEMBL29638388 0.85 NOX4 (0.41) TP53TYK2JAK1GAAMEN1
SCHEMBL29638352 0.85 ABCG2 (0.37) AKR1C3TP53TYK2JAK1POLB
SCHEMBL24557308 0.85 TYK2 (0.40) TP53TYK2JAK1MEN1KMT2A
SCHEMBL29638404 0.85 TYK2 (0.40) TP53TYK2JAK1MEN1KMT2A

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