SCHEMBL29638430

SCHEMBL29638430

Cc1cc(Nc2cc3c(cn2)c(=O)[nH]n3-c2ccc(OC(F)(F)F)c(F)c2)nc(C)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 12/20 0.36
TYK2 P29597 2/20 0.35
CACNA1H O95180 3/20 0.32
PIK3C3 Q8NEB9 1/20 0.31
PDE1A P54750 1/20 0.31
PDE4D Q08499 1/20 0.31
IDH1 O75874 1/20 0.31
PIK3CA P42336 1/20 0.31
PRKDC P78527 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
SCHEMBL24557320 1.00 PDE2A (0.36) PDE2ATYK2CACNA1HPIK3C3PDE1A
SCHEMBL29638472 0.87 POLB (0.39) TYK2IDH1PIK3CAPRKDC
SCHEMBL29638350 0.86 PHGDH (0.36) TYK2PIK3CAPRKDC
SCHEMBL24557356 0.86 PHGDH (0.36) TYK2PIK3CAPRKDC
SCHEMBL29638416 0.85 TYK2 (0.40) TYK2PIK3C3
SCHEMBL24557269 0.85 TYK2 (0.40) TYK2PIK3C3
SCHEMBL24557297 0.84 BTK (0.39)
SCHEMBL29638456 0.84 BTK (0.39)
SCHEMBL29638468 0.82 TRPV1 (0.39) TYK2
SCHEMBL24557313 0.82 CYP11B1 (0.35) TYK2PIK3C3PDE4DPRKDC

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