SCHEMBL24680934

SCHEMBL24680934

Nc1ncc(-c2ccc(C3CCCN(CC(F)F)C3)cc2)cc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
PARP10 Q53GL7 3/20 0.39
PARP11 Q9NR21 3/20 0.39
GSK3B P49841 2/20 0.38
MAPKAPK2 P49137 7/20 0.37
MAPK9 P45984 1/20 0.36
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
CCND3 P30281 2/20 0.35
CDK6 Q00534 2/20 0.35
LRRK2 Q5S007 1/20 0.34
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
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
SCHEMBL29914422 1.00 MAPK1 (0.53) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL24681160 0.91 MAPK1 (0.57) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29914406 0.91 MAPK1 (0.57) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29914516 0.89 MAPK1 (0.54) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL24680923 0.89 MAPK1 (0.54) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL24680933 0.89 MAPK1 (0.55) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29914601 0.89 MAPK1 (0.55) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL24681360 0.89 MAPK1 (0.53) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29914574 0.89 MAPK1 (0.53) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29964066 0.87 MAPK1 (0.45) MAPK1PARP10PARP11GSK3BMAPKAPK2

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