SCHEMBL29914781

SCHEMBL29914781

O=C1NCCc2c1ccc(Br)c2F

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 15/20 0.60
PARP11 Q9NR21 13/20 0.60
ACHE P22303 1/20 0.51
PARP1 P09874 6/20 0.47
PIM1 P11309 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK5 Q00535 1/20 0.42
ROCK1 Q13464 1/20 0.42
DYRK1A Q13627 1/20 0.42
LRRK2 Q5S007 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
PDPK1 O15530 1/20 0.41
GRM5 P41594 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP14 Q460N5 1/20 0.40
TIPARP Q7Z3E1 1/20 0.40
PARP16 Q8N5Y8 1/20 0.40

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
SCHEMBL4165821 0.82 ACHE (0.54) PARP10PARP11ACHEPARP1PDPK1
SCHEMBL31159024 0.82 CLK4 (0.58) PARP10PARP11ACHEPIM1CSNK1A1
SCHEMBL4168311 0.79 PARP1 (0.60) PARP10PARP11ACHEPARP1PDPK1
SCHEMBL30549718 0.79 PARP10 (0.62) PARP10PARP11ACHEPARP1PARP15
SCHEMBL25798343 0.79 PARP10 (0.62) PARP10PARP11ACHEPARP1PARP15
SCHEMBL24681313 0.79 PARP10 (0.60) PARP10PARP11ACHEPARP1PIM1
SCHEMBL14992245 0.79 ACHE (0.51) PARP10PARP11ACHEPARP1PDPK1
SCHEMBL2999788 0.75 PARP10 (1.00) PARP10PARP11ACHEPARP1PIM1
SCHEMBL29644368 0.75 PARP10 (1.00) PARP10PARP11ACHEPARP1PIM1
SCHEMBL5740876 0.74 KDM4E (0.41) PARP10PARP11PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4330246-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) Ontario Institute for Cancer Research (OICR) (CA) 2024-03-06 EP disclosed
CN-117597340-A Substituted amino-aza-heteroaryl compounds as inhibitors of hematopoietic progenitor kinase 1 (HPK 1) 安大略省癌症研究所(OICR) 2024-02-23 CN disclosed
CN-117597336-A Halogen substituted amino aza-heteroaryl compounds as inhibitors of hematopoietic progenitor kinase 1 (HPK 1) 安大略省癌症研究所(OICR) 2024-02-23 CN disclosed
WO-2022226665-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed