SCHEMBL29638427

SCHEMBL29638427

COc1cc(-n2[nH]c(=O)c3cnc(Nc4ccc(F)cn4)cc32)ccc1C#N

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 19/20 0.45
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41

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
SCHEMBL29638448 0.88 JAK1 (0.41) JAK1TYK2
SCHEMBL29638463 0.86 AR (0.47) SLC22A12
SCHEMBL24557291 0.86 AR (0.47) SLC22A12
SCHEMBL29638467 0.86 BTK (0.41) SLC22A12JAK1TYK2
SCHEMBL27199225 0.86 BTK (0.41) SLC22A12JAK1TYK2
SCHEMBL24557323 0.84 AR (0.49) SLC22A12
SCHEMBL29638343 0.84 AR (0.49) SLC22A12
SCHEMBL29638471 0.84 IDH1 (0.34) JAK1TYK2
SCHEMBL24557248 0.83 BTK (0.40) SLC22A12TYK2
SCHEMBL29638417 0.83 BTK (0.40) SLC22A12TYK2

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