SCHEMBL24680940

SCHEMBL24680940

CN1CC2CCC(C1)N2c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
MAPKAPK2 P49137 8/20 0.43
FYN P06241 3/20 0.42
PARP10 Q53GL7 3/20 0.42
PARP11 Q9NR21 3/20 0.42
MAPK9 P45984 1/20 0.41
GSK3B P49841 1/20 0.40
TGFBR1 P36897 4/20 0.39
ACVR1 Q04771 3/20 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
SCHEMBL29914413 1.00 MAPK1 (0.54) MAPK1MAPKAPK2FYNPARP10PARP11
SCHEMBL24680801 0.87 MAPK1 (0.56) MAPK1MAPKAPK2FYNPARP10PARP11
SCHEMBL29914497 0.87 MAPK1 (0.56) MAPK1MAPKAPK2FYNPARP10PARP11
SCHEMBL24680896 0.84 FYN (0.61) MAPK1MAPKAPK2FYNTGFBR1ACVR1
SCHEMBL29914549 0.83 MAPK1 (0.55) MAPK1MAPKAPK2FYNPARP10PARP11
SCHEMBL29914543 0.83 MAPK1 (0.55) MAPK1MAPKAPK2FYNPARP10PARP11
SCHEMBL24680763 0.83 MAPK1 (0.55) MAPK1MAPKAPK2FYNPARP10PARP11
SCHEMBL24680759 0.83 MAPK1 (0.55) MAPK1MAPKAPK2FYNPARP10PARP11
SCHEMBL24680895 0.82 MAPK1 (0.50) MAPK1MAPKAPK2FYNPARP10PARP11
SCHEMBL29914414 0.82 MAPK1 (0.50) MAPK1MAPKAPK2FYNPARP10PARP11

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