SCHEMBL24680702

SCHEMBL24680702

C[C@H]1COCCN1c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CNC4=O)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.52
MAPKAPK2 P49137 1/20 0.46
MAPK1 P28482 2/20 0.45
FYN P06241 2/20 0.44
TBK1 Q9UHD2 1/20 0.44
PIK3C3 Q8NEB9 3/20 0.42
TGFBR1 P36897 2/20 0.42
ACVR1 Q04771 2/20 0.42
MAPKAPK5 Q8IW41 2/20 0.41
LRRK2 Q5S007 1/20 0.41
AKT1 P31749 1/20 0.40
RIPK2 O43353 1/20 0.40
NOD2 Q9HC29 1/20 0.40

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
SCHEMBL29914389 1.00 MTOR (0.52) MTORMAPKAPK2MAPK1FYNTBK1
SCHEMBL24680707 0.91 MAPK1 (0.57) MTORMAPKAPK2MAPK1FYNPIK3C3
SCHEMBL29914407 0.91 MAPK1 (0.57) MTORMAPKAPK2MAPK1FYNPIK3C3
SCHEMBL24681624 0.91 MAPK1 (0.57) MTORMAPKAPK2MAPK1FYNPIK3C3
SCHEMBL24680882 0.91 MAPK1 (0.57) MTORMAPKAPK2MAPK1FYNPIK3C3
SCHEMBL29914434 0.91 MAPK1 (0.57) MTORMAPKAPK2MAPK1FYNPIK3C3
SCHEMBL24680785 0.86 FYN (0.46) MTORMAPK1FYNTGFBR1ACVR1
SCHEMBL24681470 0.82 MAPK1 (0.53) MTORMAPKAPK2MAPK1PIK3C3AKT1
SCHEMBL24680817 0.82 MAPK1 (0.53) MTORMAPKAPK2MAPK1PIK3C3AKT1
SCHEMBL24680816 0.82 MAPK1 (0.53) MTORMAPKAPK2MAPK1PIK3C3AKT1

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