SCHEMBL29914616

SCHEMBL29914616

CC1(C)OB(c2ccc3c(c2Cl)CCNC3=O)OC1(C)C.[Ar]

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 15/20 0.40
PARP11 Q9NR21 14/20 0.40
PARP1 P09874 6/20 0.40
ACHE P22303 1/20 0.40
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
PARP15 Q460N3 1/20 0.33
PARP14 Q460N5 1/20 0.33
TIPARP Q7Z3E1 1/20 0.33
PARP16 Q8N5Y8 1/20 0.33

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
SCHEMBL29914483 0.84 PARP10 (0.51) PARP10PARP11PARP1ACHEPARP15
SCHEMBL29914538 0.82 PARP10 (0.37) PARP10PARP11PARP1ACHEF7
SCHEMBL24681129 0.82 PARP10 (0.37) PARP10PARP11PARP1ACHEF7
SCHEMBL22120086 0.80 PARP1 (0.54) PARP10PARP11PARP1ACHE
SCHEMBL30905974 0.80 PARP1 (0.54) PARP10PARP11PARP1ACHE
SCHEMBL22497740 0.80 KDM4E (0.36)
SCHEMBL24651189 0.80 NOTUM (0.50)
SCHEMBL29914536 0.73 PARP10 (0.44) PARP10PARP11PARP1F7F3
SCHEMBL23208842 0.71 JAK2 (0.31)
SCHEMBL29734746 0.71 JAK2 (0.31)

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-2022226667-A1 SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed