SCHEMBL29638431

SCHEMBL29638431

Cc1cc(Nc2cc3c(cn2)c(=O)[nH]n3-c2cccc(C#N)c2)nc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.41
NOX4 Q9NPH5 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.37
SLC2A1 P11166 2/20 0.37
PRKDC P78527 1/20 0.37
MAT2A P31153 1/20 0.36
PHGDH O43175 1/20 0.35
NSD2 O96028 1/20 0.34
MAPK10 P53779 1/20 0.34
TYK2 P29597 6/20 0.34
MAP3K12 Q12852 1/20 0.34

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
SCHEMBL24557311 1.00 PLK1 (0.41) PLK1NOX4ABCG2SLC2A1PRKDC
SCHEMBL24557251 0.89 JAK2 (0.37) ABCG2PRKDCTYK2MAP3K12
SCHEMBL29638415 0.89 JAK2 (0.37) ABCG2PRKDCTYK2MAP3K12
SCHEMBL24557361 0.86 MAPT (0.45) PLK1NOX4ABCG2PRKDCTYK2
SCHEMBL29638464 0.86 NPC1 (0.41) TYK2
SCHEMBL24557258 0.86 NPC1 (0.41) TYK2
SCHEMBL29638451 0.85 TYK2 (0.39) PLK1ABCG2TYK2
SCHEMBL24557263 0.85 TYK2 (0.39) PLK1ABCG2TYK2
SCHEMBL24557308 0.85 TYK2 (0.40) PLK1ABCG2PRKDCTYK2
SCHEMBL29638404 0.85 TYK2 (0.40) PLK1ABCG2PRKDCTYK2

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