SCHEMBL29638397

SCHEMBL29638397

Cc1cc(Nc2cc3c(cn2)c(=O)[nH]n3-c2cccc(OC3COC3)c2)nc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.37
MAP4K1 Q92918 3/20 0.36
TYK2 P29597 6/20 0.33
AXL P30530 2/20 0.33
TYRO3 Q06418 2/20 0.33
JAK1 P23458 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
MAPK1 P28482 1/20 0.31
MERTK Q12866 1/20 0.31

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
SCHEMBL29638475 0.92 AXL (0.39) MAP4K1TYK2AXLTYRO3MERTK
SCHEMBL29638404 0.86 TYK2 (0.40) TYK2JAK1
SCHEMBL24557308 0.86 TYK2 (0.40) TYK2JAK1
SCHEMBL29638482 0.83 TYK2 (0.35) TYK2JAK1
SCHEMBL29638310 0.82 ALDH1A1 (0.40) TYK2JAK1
SCHEMBL24557356 0.82 PHGDH (0.36) TYK2JAK1MAPK1
SCHEMBL29638350 0.82 PHGDH (0.36) TYK2JAK1MAPK1
SCHEMBL24557361 0.82 MAPT (0.45) TYK2
SCHEMBL29638312 0.82 IGF1R (0.41) TYK2MAPK1
SCHEMBL24557258 0.81 NPC1 (0.41) 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