SCHEMBL24680779

SCHEMBL24680779

CN1CCN(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)CCNC5=O)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.52
MAPK1 P28482 1/20 0.47
PARP10 Q53GL7 2/20 0.44
PARP11 Q9NR21 2/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
WDR5 P61964 2/20 0.43
KCNH2 Q12809 2/20 0.43
FYN P06241 3/20 0.42
MAPKAPK2 P49137 5/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
FLT4 P35916 1/20 0.40
FLT3 P36888 1/20 0.40

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
SCHEMBL29914419 1.00 ASIC3 (0.52) ASIC3MAPK1PARP10PARP11PDE3B
SCHEMBL24680781 0.92 MAPK1 (0.48) ASIC3MAPK1PARP10PARP11KCNH2
SCHEMBL29914564 0.92 MAPK1 (0.48) ASIC3MAPK1PARP10PARP11KCNH2
SCHEMBL29914548 0.91 MAPK1 (0.44) ASIC3MAPK1PARP10PARP11WDR5
SCHEMBL24680880 0.91 MAPK1 (0.44) ASIC3MAPK1PARP10PARP11WDR5
SCHEMBL24680849 0.91 MAPK1 (0.55) ASIC3MAPK1PARP10PARP11PDE3B
SCHEMBL29914518 0.88 MAPK1 (0.42) ASIC3MAPK1PARP10PARP11WDR5
SCHEMBL24681143 0.88 MAPK1 (0.42) ASIC3MAPK1PARP10PARP11WDR5
SCHEMBL31079368 0.86 ASIC3 (0.49) ASIC3MAPK1PARP10PARP11PDE3B
SCHEMBL24681081 0.84 MAPK1 (0.46) ASIC3MAPK1PARP10PARP11PDE3B

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