SCHEMBL29989013

SCHEMBL29989013

Cc1nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.37
SSTR4 P31391 1/20 0.36
BACE1 P56817 3/20 0.35
BACE2 Q9Y5Z0 2/20 0.35
SOS1 Q07889 1/20 0.33
PAX8 Q06710 1/20 0.32
CNR2 P34972 1/20 0.31
GRM2 Q14416 1/20 0.31
APP P05067 1/20 0.30
MT-CO2 P00403 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL20741559 0.82 SYK (0.37) SYKSSTR4SOS1PAX8CNR2
SCHEMBL30176186 0.82 SYK (0.37) SYKSSTR4SOS1PAX8CNR2
SCHEMBL20580580 0.82 SSTR4 (0.38) SYKSSTR4SOS1PAX8CNR2
SCHEMBL22175746 0.80 SSTR4 (0.40) SYKSSTR4BACE1BACE2GRM2
SCHEMBL24103634 0.78 SSTR4 (0.43) SYKSSTR4BACE1BACE2SOS1
SCHEMBL30420159 0.78 SSTR4 (0.43) SYKSSTR4BACE1BACE2SOS1
SCHEMBL29863332 0.78 SSTR4 (0.35) SYKSSTR4BACE1BACE2PAX8
SCHEMBL16753375 0.78 SSTR4 (0.35) SYKSSTR4BACE1BACE2PAX8
SCHEMBL3961865 0.77 MAPT (0.35) SYK
SCHEMBL30176181 0.77 MAPT (0.35) SYK

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-2022213980-A1 TYK2 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2022-10-13 WO disclosed