SCHEMBL29964667

SCHEMBL29964667

Nc1nc(F)ccc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 10/20 0.56
PARP11 Q9NR21 9/20 0.56
MAPK1 P28482 1/20 0.51
MAPKAPK2 P49137 6/20 0.47
GRM5 P41594 2/20 0.47
MAPK9 P45984 1/20 0.47
GSK3B P49841 1/20 0.45
PARP1 P09874 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
SCHEMBL31079103 0.86 PARP10 (0.55) PARP10PARP11MAPK1MAPKAPK2GRM5
SCHEMBL29964432 0.84 PARP10 (0.44) PARP10PARP11MAPK1GRM5PARP1
SCHEMBL29914848 0.83 PARP10 (0.52) PARP10PARP11MAPK1MAPKAPK2GRM5
SCHEMBL29964097 0.83 MAPK1 (0.53) PARP10PARP11MAPK1MAPKAPK2GRM5
SCHEMBL29750194 0.80 PARP11 (0.59) PARP10PARP11MAPK1MAPKAPK2MAPK9
SCHEMBL29965164 0.78 PARP10 (0.47) PARP10PARP11MAPK1MAPKAPK2GRM5
SCHEMBL29964767 0.78 PARP10 (0.47) PARP10PARP11MAPK1MAPKAPK2GRM5
SCHEMBL29964561 0.78 PARP10 (0.52) PARP10PARP11MAPK1MAPKAPK2GRM5
SCHEMBL27160022 0.77 PARP10 (0.51) PARP10PARP11MAPK1MAPKAPK2GRM5
SCHEMBL27159878 0.77 PARP10 (0.51) PARP10PARP11MAPK1MAPKAPK2GRM5

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-2022226668-A1 HALO-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