SCHEMBL30336933

SCHEMBL30336933

COC(=O)c1ccc2c(c1)CCNC2=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 1/20 0.58
PRKACG P22612 1/20 0.58
PRKACB P22694 1/20 0.58
PARP11 Q9NR21 9/20 0.56
PARP10 Q53GL7 9/20 0.56
GRM5 P41594 5/20 0.48
PARP1 P09874 2/20 0.46
PDPK1 O15530 1/20 0.46
GSK3B P49841 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTPRC P08575 1/20 0.44

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
SCHEMBL12683051 1.00 PRKACA (0.58) PRKACAPRKACGPRKACBPARP11PARP10
SCHEMBL14395236 0.88 PARP10 (0.56) PRKACAPRKACGPRKACBPARP11PARP10
SCHEMBL31098601 0.85 SMYD3 (0.53) PRKACAPRKACGPRKACBGRM5PARP1
SCHEMBL4611577 0.85 SMYD3 (0.53) PRKACAPRKACGPRKACBGRM5PARP1
SCHEMBL22401619 0.85 MAPK1 (0.57) PRKACAPRKACGPRKACBPARP11PARP10
SCHEMBL1727165 0.83 PARP11 (0.72) PRKACAPRKACGPRKACBPARP11PARP10
SCHEMBL1417726 0.81 PARP11 (0.58) PRKACAPRKACGPRKACBPARP11PARP10
SCHEMBL30337030 0.81 PARP11 (0.58) PRKACAPRKACGPRKACBPARP11PARP10
SCHEMBL30421037 0.80 PARP10 (0.57) PRKACAPRKACGPRKACBPARP11PARP10
SCHEMBL30445913 0.80 MAPT (0.54) MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119173512-A Small molecule inhibitors of ubiquitin-specific protease 1 (USP 1) and uses thereof 英矽智能科技知识产权有限公司 2024-12-20 CN disclosed
CN-116178360-A PRMT5 inhibitors and uses thereof 四川海思科制药有限公司 2023-05-30 CN disclosed
CN-115916176-A Inhibitors of alpha 2 beta 1 integrin and methods of use thereof 加利福尼亚大学董事会 2023-04-04 CN disclosed