SCHEMBL29638404

SCHEMBL29638404

COc1cccc(-n2[nH]c(=O)c3cnc(Nc4cc(C)nc(C)n4)cc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 5/20 0.40
PLK1 P53350 1/20 0.39
PIK3CA P42336 3/20 0.39
PRKDC P78527 3/20 0.39
CYP1A2 P05177 1/20 0.38
JAK1 P23458 1/20 0.38
MAPT P10636 2/20 0.37
ABCB1 P08183 1/20 0.37
ABCC1 P33527 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
MTOR P42345 1/20 0.36
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 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
SCHEMBL24557308 1.00 TYK2 (0.40) TYK2PLK1PIK3CAPRKDCCYP1A2
SCHEMBL29638482 0.90 TYK2 (0.35) TYK2PLK1JAK1MAPTTP53
SCHEMBL29638350 0.89 PHGDH (0.36) TYK2PLK1PIK3CAPRKDCJAK1
SCHEMBL24557356 0.89 PHGDH (0.36) TYK2PLK1PIK3CAPRKDCJAK1
SCHEMBL29638310 0.89 ALDH1A1 (0.40) TYK2PLK1PIK3CAPRKDCJAK1
SCHEMBL24557288 0.88 LYN (0.40) PLK1PIK3CAPRKDCCYP1A2MAPT
SCHEMBL29638433 0.88 LYN (0.40) PLK1PIK3CAPRKDCCYP1A2MAPT
SCHEMBL24557361 0.88 MAPT (0.45) TYK2PLK1PRKDCCYP1A2MAPT
SCHEMBL24557285 0.88 PLK1 (0.41) PLK1PIK3CAPRKDCCYP1A2MAPT
SCHEMBL29638426 0.88 PLK1 (0.41) PLK1PIK3CAPRKDCCYP1A2MAPT

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