SCHEMBL24680703

SCHEMBL24680703

C[C@@H]1CN(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)CCNC5=O)c3)cn2)C[C@H](C)O1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
PIK3CA P42336 4/20 0.43
PIK3CD O00329 3/20 0.43
PIK3CB P42338 3/20 0.43
AOC3 Q16853 1/20 0.43
MAPKAPK2 P49137 8/20 0.41
MAPK9 P45984 1/20 0.41
PARP10 Q53GL7 4/20 0.39
PARP11 Q9NR21 4/20 0.39
GSK3B P49841 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
PIK3CG P48736 2/20 0.38

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
SCHEMBL29914546 1.00 MAPK1 (0.54) MAPK1PIK3CAPIK3CDPIK3CBAOC3
SCHEMBL24681516 1.00 MAPK1 (0.54) MAPK1PIK3CAPIK3CDPIK3CBAOC3
SCHEMBL24681215 0.90 MAPK1 (0.57) MAPK1MAPKAPK2MAPK9PARP10PARP11
SCHEMBL29914550 0.90 MAPK1 (0.57) MAPK1MAPKAPK2MAPK9PARP10PARP11
SCHEMBL24681606 0.90 MAPK1 (0.57) MAPK1MAPKAPK2MAPK9PARP10PARP11
SCHEMBL24681217 0.81 MAPK1 (0.56) MAPK1MAPKAPK2MAPK9
SCHEMBL29914421 0.81 MAPK1 (0.56) MAPK1MAPKAPK2MAPK9
SCHEMBL24681096 0.81 MAPK1 (0.56) MAPK1MAPKAPK2MAPK9
SCHEMBL24681093 0.81 MAPK1 (0.56) MAPK1MAPKAPK2MAPK9
SCHEMBL29914588 0.81 MAPK1 (0.56) MAPK1MAPKAPK2MAPK9

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