SCHEMBL29914536

SCHEMBL29914536

CC1(C)OB(c2cc3c(cc2Cl)C(=O)NCC3)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 12/20 0.44
PARP1 P09874 6/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PARP11 Q9NR21 8/20 0.41
GRM5 P41594 6/20 0.38
PDPK1 O15530 1/20 0.36

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
SCHEMBL29914423 0.85 PARP10 (0.46) PARP10PARP1F7F3KDM4E
SCHEMBL24681544 0.85 PARP10 (0.46) PARP10PARP1F7F3KDM4E
SCHEMBL24680477 0.84 PARP10 (0.44) PARP10PARP1F7F3KDM4E
SCHEMBL24681553 0.83 KDM4E (0.41) PARP10PARP1F7F3KDM4E
SCHEMBL31167946 0.82 KDM4E (0.42) PARP10PARP1F7F3KDM4E
SCHEMBL2052209 0.76 PARP10 (0.54) PARP10PARP1F7F3KDM4E
SCHEMBL29676875 0.76 PARP10 (0.54) PARP10PARP1F7F3KDM4E
SCHEMBL1636716 0.76 PARP10 (0.54) PARP10PARP1F7F3KDM4E
SCHEMBL30720809 0.76 PARP10 (0.54) PARP10PARP1F7F3KDM4E
SCHEMBL793729 0.75 PARP10 (0.62) PARP10PARP1F7F3KDM4E

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