SCHEMBL29638455

SCHEMBL29638455

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.35
PRKDC P78527 2/20 0.35
MTOR P42345 1/20 0.35
TYK2 P29597 6/20 0.34
TTK P33981 1/20 0.34
TDP2 O95551 1/20 0.34
OPRL1 P41146 1/20 0.34
TNIK Q9UKE5 3/20 0.34
KCNH2 Q12809 2/20 0.33
TNK2 Q07912 1/20 0.33
OPRM1 P35372 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PLK1 P53350 1/20 0.33
SCN9A Q15858 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
SCHEMBL29638415 0.84 JAK2 (0.37) PIK3CAPRKDCMTORTYK2
SCHEMBL24557251 0.84 JAK2 (0.37) PIK3CAPRKDCMTORTYK2
SCHEMBL29638471 0.82 IDH1 (0.34) PRKDCTYK2
SCHEMBL29638431 0.82 PLK1 (0.41) PRKDCTYK2PLK1
SCHEMBL24557311 0.82 PLK1 (0.41) PRKDCTYK2PLK1
SCHEMBL29638519 0.81 TYK2 (0.45) TYK2
SCHEMBL29638372 0.80 TYK2 (0.42) TYK2PLK1
SCHEMBL29638329 0.79 FGFR4 (0.36) TYK2KCNH2TNK2
SCHEMBL24557269 0.78 TYK2 (0.40) TYK2KCNH2SCN9A
SCHEMBL29638376 0.78 TYK2 (0.40) TYK2

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