SCHEMBL29914531

SCHEMBL29914531

Nc1ncc(-c2ccc(C3CCN(CCF)CC3)cc2)cc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.58
DRD2 P14416 2/20 0.41
GSK3B P49841 1/20 0.40
PARP10 Q53GL7 3/20 0.40
PARP11 Q9NR21 3/20 0.40
MAPKAPK2 P49137 7/20 0.39
LRRK2 Q5S007 3/20 0.39
CDC7 O00311 1/20 0.38
MAPK9 P45984 1/20 0.37
IL2 P60568 1/20 0.36
MAP4K1 Q92918 1/20 0.36
OGA O60502 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
SCHEMBL24681304 1.00 MAPK1 (0.58) MAPK1DRD2GSK3BPARP10PARP11
SCHEMBL24680923 0.91 MAPK1 (0.54) MAPK1DRD2GSK3BPARP10PARP11
SCHEMBL29914516 0.91 MAPK1 (0.54) MAPK1DRD2GSK3BPARP10PARP11
SCHEMBL29914496 0.90 MAPK1 (0.60) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL24681229 0.90 MAPK1 (0.60) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL24680738 0.89 MAPK1 (0.45) MAPK1DRD2GSK3BPARP10PARP11
SCHEMBL29914597 0.89 MAPK1 (0.57) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL24681160 0.89 MAPK1 (0.57) MAPK1DRD2GSK3BPARP10PARP11
SCHEMBL24681120 0.89 MAPK1 (0.57) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL29914406 0.89 MAPK1 (0.57) MAPK1DRD2GSK3BPARP10PARP11

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