SCHEMBL24030998

SCHEMBL24030998

Cc1cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.37
SYK P43405 1/20 0.36
SSTR4 P31391 1/20 0.35
AAK1 Q2M2I8 2/20 0.33
PDPK1 O15530 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
LMNA P02545 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
BACE1 P56817 1/20 0.31
SOS1 Q07889 1/20 0.31
DGAT1 O75907 1/20 0.30
LCK P06239 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
SCHEMBL1180650 0.88 SYK (0.36) USP30SYKSSTR4AAK1PDPK1
SCHEMBL25635406 0.84 SYK (0.38) USP30SYKSSTR4AAK1PDPK1
SCHEMBL16418569 0.81 SYK (0.38) USP30SYKSSTR4AAK1PDPK1
SCHEMBL31508057 0.81 SYK (0.38) USP30SYKSSTR4AAK1PDPK1
SCHEMBL30990299 0.81 SSTR4 (0.39) USP30SYKSSTR4AAK1PDPK1
SCHEMBL3434625 0.80 SYK (0.35) USP30SYKSSTR4AAK1PDPK1
SCHEMBL29513867 0.80 MTNR1A (0.39) USP30SYKSSTR4AAK1PDPK1
SCHEMBL25345974 0.80 MTNR1A (0.39) USP30SYKSSTR4AAK1PDPK1
SCHEMBL16638904 0.79 SYK (0.36) USP30SYKSSTR4AAK1PDPK1
SCHEMBL6058650 0.79 SYK (0.37) USP30SYKSSTR4AAK1PDPK1

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-2021227906-A1 PYRIDINE ACETAMIDE DERIVATIVE SERVING AS CDK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州阿尔脉生物科技有限公司 2021-11-18 WO disclosed