SCHEMBL29914558

SCHEMBL29914558

CCN1CCOCC1c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
MAPKAPK2 P49137 8/20 0.38
PARP10 Q53GL7 3/20 0.38
PARP11 Q9NR21 3/20 0.38
RIPK2 O43353 2/20 0.37
NOD2 Q9HC29 2/20 0.37
FYN P06241 2/20 0.37
GSK3B P49841 1/20 0.37
MAPK9 P45984 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVR1 Q04771 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL24681082 1.00 MAPK1 (0.56) MAPK1MAPKAPK2PARP10PARP11RIPK2
SCHEMBL29914394 0.90 MAPK1 (0.53) MAPK1MAPKAPK2PARP10PARP11FYN
SCHEMBL29914450 0.90 MAPK1 (0.53) MAPK1MAPKAPK2PARP10PARP11FYN
SCHEMBL24680748 0.90 MAPK1 (0.53) MAPK1MAPKAPK2PARP10PARP11FYN
SCHEMBL24681314 0.90 MAPK1 (0.53) MAPK1MAPKAPK2PARP10PARP11FYN
SCHEMBL24680743 0.88 MAPK1 (0.53) MAPK1MAPKAPK2PARP10PARP11RIPK2
SCHEMBL29914481 0.88 MAPK1 (0.53) MAPK1MAPKAPK2PARP10PARP11RIPK2
SCHEMBL29964580 0.85 MAPK1 (0.46) MAPK1MAPKAPK2PARP10PARP11GSK3B
SCHEMBL24681624 0.81 MAPK1 (0.57) MAPK1MAPKAPK2PARP10PARP11FYN
SCHEMBL24680707 0.81 MAPK1 (0.57) MAPK1MAPKAPK2PARP10PARP11FYN

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