SCHEMBL29638352

SCHEMBL29638352

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.37
TP53 P04637 1/20 0.35
TYK2 P29597 8/20 0.34
LYN P07948 3/20 0.34
BTK Q06187 3/20 0.34
SRC P12931 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
JAK1 P23458 2/20 0.34
TDP2 O95551 1/20 0.33
ABL1 P00519 2/20 0.33
JAK3 P52333 2/20 0.32
MAPK13 O15264 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
YES1 P07947 1/20 0.32
HCK P08631 1/20 0.32
FGR P09769 1/20 0.32

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
SCHEMBL29638528 0.89 TYK2 (0.33) TP53TYK2LYNBTKSRC
SCHEMBL29638438 0.89 TYK2 (0.36) TP53TYK2JAK1
SCHEMBL24557361 0.86 MAPT (0.45) ABCG2TYK2LYNSRCPOLB
SCHEMBL29638464 0.86 NPC1 (0.41) TP53TYK2LYNBTKSRC
SCHEMBL24557258 0.86 NPC1 (0.41) TP53TYK2LYNBTKSRC
SCHEMBL24557263 0.85 TYK2 (0.39) ABCG2TYK2BTKSRCPOLB
SCHEMBL29638451 0.85 TYK2 (0.39) ABCG2TYK2BTKSRCPOLB
SCHEMBL29638412 0.85 AKR1C3 (0.44) TP53TYK2LYNSRCPOLB
SCHEMBL29638325 0.85 TP53 (0.39) TP53TYK2LYNSRCPOLB
SCHEMBL24557308 0.85 TYK2 (0.40) ABCG2TP53TYK2JAK1

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