SCHEMBL29638480

SCHEMBL29638480

COc1cccc(-n2[nH]c(=O)c3cnc(Nc4ccc(F)cn4)cc32)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.45
SRC P12931 7/20 0.43
PIK3CA P42336 2/20 0.42
PRKDC P78527 2/20 0.42
LYN P07948 5/20 0.41
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
JAK2 O60674 1/20 0.39
PDE4D Q08499 1/20 0.39
MAPT P10636 1/20 0.39
PLK1 P53350 1/20 0.39
MIF P14174 1/20 0.38

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
SCHEMBL24557272 1.00 BTK (0.45) BTKSRCPIK3CAPRKDCLYN
SCHEMBL29638496 0.91 SRC (0.46) BTKSRCPIK3CAPRKDCLYN
SCHEMBL24557271 0.91 SRC (0.46) BTKSRCPIK3CAPRKDCLYN
SCHEMBL29638492 0.88 BTK (0.48) BTKSRCLYN
SCHEMBL29638399 0.88 BTK (0.43) BTKSRCPIK3CAPRKDCLYN
SCHEMBL24557280 0.87 TNNI3K (0.39) BTKSRCPIK3CAPRKDCLYN
SCHEMBL29638322 0.87 TNNI3K (0.39) BTKSRCPIK3CAPRKDCLYN
SCHEMBL24557282 0.87 POLB (0.42) BTKSRCPIK3CAPRKDCLYN
SCHEMBL29638556 0.87 POLB (0.42) BTKSRCPIK3CAPRKDCLYN
SCHEMBL24557279 0.86 MEN1 (0.42) BTKSRCPIK3CAPRKDCLYN

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