SCHEMBL29914596

SCHEMBL29914596

CC1(C)OB(c2cc(Cl)c3c(c2)CCNC3=O)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.35
PARP1 P09874 3/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
PARP11 Q9NR21 3/20 0.33
KDM4E B2RXH2 1/20 0.32
HSP90AA1 P07900 7/20 0.32
HSP90AB1 P08238 7/20 0.32
HSP90B1 P14625 1/20 0.31
GRM5 P41594 1/20 0.30
HTT P42858 1/20 0.30
PTK2B Q14289 1/20 0.30
LCK P06239 1/20 0.30
BACE1 P56817 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL24680853 0.88 HSP90AA1 (0.36) PARP10PARP1F7F3PARP11
SCHEMBL27157750 0.84 ROCK1 (0.36) PARP10PARP1PARP11KDM4EHSP90AA1
SCHEMBL24681375 0.83 F7 (0.32) PARP10PARP1F7F3KDM4E
SCHEMBL22491231 0.82 CSF1R (0.35) PARP10PARP1PARP11KDM4EHSP90AA1
SCHEMBL20865722 0.81 MEN1 (0.33) MEN1KMT2AL3MBTL1
SCHEMBL29123417 0.77 CA12 (0.33) HSP90AA1HSP90AB1
SCHEMBL30720809 0.76 PARP10 (0.54) PARP10PARP1F7F3PARP11
SCHEMBL1636716 0.76 PARP10 (0.54) PARP10PARP1F7F3PARP11
SCHEMBL23162343 0.74 CSF1R (0.31)
SCHEMBL29914536 0.74 PARP10 (0.44) PARP10PARP1F7F3PARP11

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