SCHEMBL29638323

SCHEMBL29638323

COc1cccc(-n2[nH]c(=O)c3c(N)nc(Nc4cc(C)nc(C)n4)cc32)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 5/20 0.41
CYP1A2 P05177 1/20 0.38
MAPT P10636 2/20 0.37
ABCG2 Q9UNQ0 2/20 0.36
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
XDH P47989 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
RAB9A P51151 1/20 0.35

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
SCHEMBL29638404 0.83 TYK2 (0.40) TYK2CYP1A2MAPTABCG2ABCB1
SCHEMBL24557308 0.83 TYK2 (0.40) TYK2CYP1A2MAPTABCG2ABCB1
SCHEMBL29638411 0.78 ALKBH5 (0.42) CYP1A2MAPTXDHMEN1KMT2A
SCHEMBL29638356 0.75 TYK2 (0.38) TYK2CYP1A2MAPTABCG2ABCB1
SCHEMBL29638357 0.74 TYK2 (0.41) TYK2CYP1A2MAPTABCG2ABCB1
SCHEMBL29638482 0.74 TYK2 (0.35) TYK2MAPTTP53ALDH1A1
SCHEMBL29638350 0.73 PHGDH (0.36) TYK2TP53
SCHEMBL29638310 0.73 ALDH1A1 (0.40) TYK2MAPTTP53ALDH1A1
SCHEMBL24557356 0.73 PHGDH (0.36) TYK2TP53
SCHEMBL24557288 0.72 LYN (0.40) CYP1A2MAPTMEN1KMT2AALKBH5

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