SCHEMBL29638331

SCHEMBL29638331

COc1cccc(-n2[nH]c(=O)c3cnc(Nc4ccc(F)cn4)cc32)c1F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 6/20 0.43
TYK2 P29597 6/20 0.43
JAK2 O60674 2/20 0.43
PDE4D Q08499 2/20 0.43
BTK Q06187 12/20 0.42
SRC P12931 9/20 0.42
LYN P07948 6/20 0.40

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
SCHEMBL24557265 1.00 JAK1 (0.43) JAK1TYK2JAK2PDE4DBTK
SCHEMBL29638410 0.92 JAK1 (0.46) JAK1TYK2JAK2PDE4DBTK
SCHEMBL24557309 0.92 JAK1 (0.46) JAK1TYK2JAK2PDE4DBTK
SCHEMBL29638389 0.87 BTK (0.48) JAK1TYK2JAK2PDE4DBTK
SCHEMBL29638372 0.86 TYK2 (0.42) JAK1TYK2JAK2BTKSRC
SCHEMBL29638420 0.85 BTK (0.47) JAK1TYK2JAK2PDE4DBTK
SCHEMBL29638462 0.84 TYK2 (0.41) JAK1TYK2JAK2PDE4DBTK
SCHEMBL29638493 0.83 BTK (0.44) JAK1TYK2JAK2PDE4DBTK
SCHEMBL24557321 0.83 BTK (0.48) JAK1TYK2JAK2BTKSRC
SCHEMBL29638407 0.83 BTK (0.48) JAK1TYK2JAK2BTKSRC

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