SCHEMBL29914401

SCHEMBL29914401

Nc1ncc(-c2ccc(C3CN(CC(F)(F)F)CCO3)cc2)cc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
MAPKAPK2 P49137 6/20 0.36
PARP10 Q53GL7 3/20 0.36
PARP11 Q9NR21 3/20 0.36
SIK2 Q9H0K1 1/20 0.36
CDC7 O00311 2/20 0.36
GSK3B P49841 1/20 0.35
KCNH2 Q12809 4/20 0.35
MAPK9 P45984 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVR1 Q04771 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL24681080 1.00 MAPK1 (0.51) MAPK1MAPKAPK2PARP10PARP11SIK2
SCHEMBL24680769 0.90 MAPK1 (0.54) MAPK1MAPKAPK2PARP10PARP11GSK3B
SCHEMBL29914533 0.90 MAPK1 (0.54) MAPK1MAPKAPK2PARP10PARP11GSK3B
SCHEMBL29914584 0.89 MAPK1 (0.51) MAPK1MAPKAPK2PARP10PARP11GSK3B
SCHEMBL24681079 0.89 MAPK1 (0.51) MAPK1MAPKAPK2PARP10PARP11GSK3B
SCHEMBL29965002 0.87 MAPK1 (0.43) MAPK1MAPKAPK2PARP10PARP11CDC7
SCHEMBL24681120 0.86 MAPK1 (0.57) MAPK1MAPKAPK2PARP10PARP11CDC7
SCHEMBL29914597 0.86 MAPK1 (0.57) MAPK1MAPKAPK2PARP10PARP11CDC7
SCHEMBL24681360 0.86 MAPK1 (0.53) MAPK1MAPKAPK2PARP10PARP11CDC7
SCHEMBL29914574 0.86 MAPK1 (0.53) MAPK1MAPKAPK2PARP10PARP11CDC7

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