SCHEMBL29638519

SCHEMBL29638519

COc1cc(-c2ncn(C)n2)ccc1-n1[nH]c(=O)c2cnc(Nc3cc(C)nc(C)n3)cc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 12/20 0.45
JAK1 P23458 1/20 0.44
PSEN1 P49768 8/20 0.36
PSEN2 P49810 8/20 0.36
APH1B Q8WW43 8/20 0.36
NCSTN Q92542 8/20 0.36
APH1A Q96BI3 8/20 0.36
PSENEN Q9NZ42 8/20 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
SCHEMBL29638339 0.83 TYK2 (0.45) TYK2JAK1
SCHEMBL24557363 0.83 TYK2 (0.45) TYK2JAK1
SCHEMBL29638423 0.83 TYK2 (0.59) TYK2JAK1
SCHEMBL29638455 0.81 PIK3CA (0.35) TYK2
SCHEMBL29638372 0.77 TYK2 (0.42) TYK2JAK1PSEN1PSEN2APH1B
SCHEMBL29638329 0.75 FGFR4 (0.36) TYK2PSEN1PSEN2APH1BNCSTN
SCHEMBL25243633 0.75 TYK2 (0.47) TYK2JAK1PSEN1PSEN2APH1B
SCHEMBL29638444 0.75 TYK2 (0.38) TYK2JAK1
SCHEMBL24557269 0.74 TYK2 (0.40) TYK2JAK1
SCHEMBL29638416 0.74 TYK2 (0.40) TYK2JAK1

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