SCHEMBL29914562

SCHEMBL29914562

Nc1ncc(-c2ccc(C3CCCCN3)cc2)cc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
PARP10 Q53GL7 8/20 0.44
PARP11 Q9NR21 8/20 0.44
GSK3B P49841 2/20 0.42
MAPKAPK2 P49137 8/20 0.42
AURKA O14965 1/20 0.39
MAPK9 P45984 1/20 0.39

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
SCHEMBL24681339 1.00 MAPK1 (0.59) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29914489 0.86 MAPK1 (0.63) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL24681332 0.86 MAPK1 (0.63) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29914491 0.83 MAPK1 (0.67) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29965170 0.83 MAPK1 (0.48) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL24681135 0.83 MAPK1 (0.61) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29914392 0.83 MAPK1 (0.61) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL18936971 0.80 MAPK1 (0.60) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL24681000 0.80 MAPK1 (0.65) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL24681152 0.80 MAPK1 (0.65) MAPK1PARP10PARP11GSK3BMAPKAPK2

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