SCHEMBL29914548

SCHEMBL29914548

CC(=O)N1CCN(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)CCNC5=O)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
MTOR P42345 4/20 0.42
KCNH2 Q12809 4/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CG P48736 2/20 0.42
ASIC3 Q9UHC3 1/20 0.42
PARP10 Q53GL7 2/20 0.41
PARP11 Q9NR21 2/20 0.41
PIK3CD O00329 1/20 0.40
MAPKAPK2 P49137 3/20 0.40
GSK3B P49841 1/20 0.40
WDR5 P61964 1/20 0.39
ITGB2 P05107 2/20 0.39
ICAM1 P05362 2/20 0.39
ITGAL P20701 2/20 0.39
ALK Q9UM73 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
SCHEMBL24680880 1.00 MAPK1 (0.44) MAPK1MTORKCNH2PIK3CAPIK3CG
SCHEMBL24680779 0.91 ASIC3 (0.52) MAPK1KCNH2ASIC3PARP10PARP11
SCHEMBL29914419 0.91 ASIC3 (0.52) MAPK1KCNH2ASIC3PARP10PARP11
SCHEMBL29914518 0.91 MAPK1 (0.42) MAPK1MTORKCNH2PIK3CAASIC3
SCHEMBL24681143 0.91 MAPK1 (0.42) MAPK1MTORKCNH2PIK3CAASIC3
SCHEMBL24680781 0.88 MAPK1 (0.48) MAPK1MTORKCNH2ASIC3PARP10
SCHEMBL29914564 0.88 MAPK1 (0.48) MAPK1MTORKCNH2ASIC3PARP10
SCHEMBL29964569 0.87 ASIC3 (0.40) MAPK1MTORPIK3CAPIK3CGASIC3
SCHEMBL24680849 0.87 MAPK1 (0.55) MAPK1MTORKCNH2PIK3CAASIC3
SCHEMBL24680722 0.85 MAPK1 (0.52) MAPK1MAPKAPK2

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