SCHEMBL24680918

SCHEMBL24680918

CN1CCN(c2ccc(-c3cnc(N)c(-c4cc5c(cn4)C(=O)NCC5)c3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.57
TGFBR1 P36897 10/20 0.47
ACVR1 Q04771 9/20 0.46
MAPK1 P28482 1/20 0.43
PARP1 P09874 1/20 0.43
LRRK2 Q5S007 1/20 0.43
RIPK2 O43353 1/20 0.43
NOD2 Q9HC29 1/20 0.43
MAPKAPK2 P49137 1/20 0.43

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
SCHEMBL24680896 0.89 FYN (0.61) FYNTGFBR1ACVR1MAPK1RIPK2
SCHEMBL29914547 0.87 FYN (0.58) FYNTGFBR1ACVR1MAPK1RIPK2
SCHEMBL24681149 0.87 FYN (0.58) FYNTGFBR1ACVR1MAPK1RIPK2
SCHEMBL24681164 0.87 FYN (0.55) FYNTGFBR1ACVR1MAPK1PARP1
SCHEMBL29914495 0.86 FYN (0.54) FYNTGFBR1ACVR1RIPK2NOD2
SCHEMBL24681227 0.86 FYN (0.54) FYNTGFBR1ACVR1MAPK1PARP1
SCHEMBL24681115 0.86 FYN (0.54) FYNTGFBR1ACVR1RIPK2NOD2
SCHEMBL24680751 0.85 FYN (0.56) FYNTGFBR1ACVR1MAPK1PARP1
SCHEMBL29914475 0.85 FYN (0.56) FYNTGFBR1ACVR1MAPK1PARP1
SCHEMBL24681094 0.83 MAPK1 (0.51) FYNTGFBR1ACVR1MAPK1RIPK2

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-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