SCHEMBL29914518

SCHEMBL29914518

CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)CCNC5=O)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
KCNH2 Q12809 4/20 0.40
ASIC3 Q9UHC3 1/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
GSK3B P49841 1/20 0.39
PARP10 Q53GL7 3/20 0.39
PARP11 Q9NR21 3/20 0.39
MAPKAPK2 P49137 3/20 0.39
RET P07949 1/20 0.38
WDR5 P61964 1/20 0.38
MTOR P42345 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
KIT P10721 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL24681143 1.00 MAPK1 (0.42) MAPK1KCNH2ASIC3SMARCA2SMARCA4
SCHEMBL29914548 0.91 MAPK1 (0.44) MAPK1KCNH2ASIC3GSK3BPARP10
SCHEMBL24680880 0.91 MAPK1 (0.44) MAPK1KCNH2ASIC3GSK3BPARP10
SCHEMBL29914419 0.88 ASIC3 (0.52) MAPK1KCNH2ASIC3PARP10PARP11
SCHEMBL24680779 0.88 ASIC3 (0.52) MAPK1KCNH2ASIC3PARP10PARP11
SCHEMBL29964802 0.88 SMARCA2 (0.40) MAPK1ASIC3SMARCA2SMARCA4PBRM1
SCHEMBL24680708 0.88 MAPK1 (0.47) MAPK1PIK3CA
SCHEMBL29914385 0.88 MAPK1 (0.47) MAPK1PIK3CA
SCHEMBL24680781 0.86 MAPK1 (0.48) MAPK1KCNH2ASIC3PARP10PARP11
SCHEMBL29914564 0.86 MAPK1 (0.48) MAPK1KCNH2ASIC3PARP10PARP11

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 2 patents. 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
WO-2022226668-A1 HALO-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