SCHEMBL29638515

SCHEMBL29638515

COc1cccc(-n2[nH]c(=O)c3cnc(Nc4cccnn4)cc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.42
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
PLK1 P53350 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
PIK3CA P42336 3/20 0.38
PRKDC P78527 3/20 0.38
KAT2B Q92831 1/20 0.38
HPGD P15428 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.37
GABRA1 P14867 2/20 0.36
GABRG2 P18507 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
SCHEMBL24557287 1.00 BTK (0.42) BTKJAK2JAK1TYK2JAK3
SCHEMBL24557282 0.88 POLB (0.42) BTKJAK2JAK1TYK2JAK3
SCHEMBL29638556 0.88 POLB (0.42) BTKJAK2JAK1TYK2JAK3
SCHEMBL29638478 0.88 MEN1 (0.42) BTKPLK1MEN1KMT2AMAPT
SCHEMBL24557279 0.88 MEN1 (0.42) BTKPLK1MEN1KMT2AMAPT
SCHEMBL29638400 0.86 LYN (0.42) BTKTYK2PLK1MEN1KMT2A
SCHEMBL24557271 0.85 SRC (0.46) BTKJAK2JAK1TYK2PLK1
SCHEMBL29638496 0.85 SRC (0.46) BTKJAK2JAK1TYK2PLK1
SCHEMBL24557286 0.84 LYN (0.48) BTKPLK1MEN1KMT2AMAPT
SCHEMBL24557289 0.84 LYN (0.42) BTKPLK1MEN1KMT2AMAPT

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