SCHEMBL29638466

SCHEMBL29638466

Cc1cc(Nc2cc3c(cn2)c(=O)[nH]n3-c2ccc(OCC(F)(F)F)cc2)nc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
AMD1 P17707 1/20 0.36
KDM4C Q9H3R0 1/20 0.34
MAP4K1 Q92918 9/20 0.33
TYK2 P29597 2/20 0.33
IDH1 O75874 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
FADS1 O60427 1/20 0.31
LYN P07948 1/20 0.31

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
SCHEMBL24557273 1.00 MAPT (0.39) MAPTAMD1KDM4CMAP4K1TYK2
SCHEMBL29638472 0.89 POLB (0.39) MAPTTYK2IDH1MAPK1PIK3CA
SCHEMBL29638468 0.88 TRPV1 (0.39) MAPTTYK2
SCHEMBL29638345 0.85 GABRA1 (0.39) MAPTTYK2PIK3CA
SCHEMBL29638437 0.83 HPGD (0.40) MAPTTYK2
SCHEMBL24557258 0.82 NPC1 (0.41) MAPTTYK2TSHRLYN
SCHEMBL29638464 0.82 NPC1 (0.41) MAPTTYK2TSHRLYN
SCHEMBL24557251 0.82 JAK2 (0.37) MAPTTYK2IDH1PIK3CALYN
SCHEMBL29638415 0.82 JAK2 (0.37) MAPTTYK2IDH1PIK3CALYN
SCHEMBL24557356 0.82 PHGDH (0.36) TYK2MAPK1PIK3CA

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