SCHEMBL29638376

SCHEMBL29638376

COc1cc(-n2[nH]c(=O)c3cnc(Nc4cc(C)nc(C)n4)cc32)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 7/20 0.40
BRD4 O60885 5/20 0.39
JAK1 P23458 1/20 0.33
PKM P14618 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
NOTUM Q6P988 1/20 0.33
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPK13 O15264 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
YES1 P07947 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
SCHEMBL27199230 1.00 TYK2 (0.40) TYK2BRD4JAK1PKMTP53
SCHEMBL24557290 0.89 TYK2 (0.37) TYK2POLBNOTUMALDH1A1MAPK13
SCHEMBL29638542 0.89 TYK2 (0.37) TYK2POLBNOTUMALDH1A1MAPK13
SCHEMBL29638416 0.89 TYK2 (0.40) TYK2JAK1ALDH1A1
SCHEMBL24557269 0.89 TYK2 (0.40) TYK2JAK1ALDH1A1
SCHEMBL29638340 0.88 TYK2 (0.36) TYK2JAK1
SCHEMBL29638471 0.86 IDH1 (0.34) TYK2JAK1ALDH1A1
SCHEMBL29638437 0.85 HPGD (0.40) TYK2TP53MAPTALDH1A1
SCHEMBL29638329 0.84 FGFR4 (0.36) TYK2POLBMAPTALDH1A1
SCHEMBL24557308 0.84 TYK2 (0.40) TYK2JAK1TP53MAPTALDH1A1

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