SCHEMBL25488381

SCHEMBL25488381

O=C(c1cccc(Nc2ccncc2)c1)N1CCc2c(Oc3cc[n+](-c4cnccc4Nc4cc(C(=O)N5CCc6c(Oc7ccncc7)cccc65)ccn4)cc3)cccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.34
GSK3A P49840 2/20 0.34
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
HTR2C P28335 5/20 0.33
HTR2A P28223 2/20 0.33
KDR P35968 1/20 0.32
UCHL1 P09936 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
HTR2B P41595 1/20 0.31
GPR52 Q9Y2T5 2/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
STAT3 P40763 1/20 0.31
MET P08581 1/20 0.31
CCNT1 O60563 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CDK9 P50750 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL25827158 0.84 UCHL1 (0.38) GSK3BGSK3AHTR2CHTR2AUCHL1
SCHEMBL25827157 0.83 HTR2C (0.40) HTR2CHTR2AUCHL1CYP11B1CYP11B2
SCHEMBL25820801 0.81 UCHL1 (0.43) GSK3BGSK3AHTR2CUCHL1HTR2B
SCHEMBL25820804 0.80 UCHL1 (0.45) HTR2CHTR2AUCHL1CYP11B1CYP11B2
SCHEMBL24010363 0.80 HTR2C (0.38) GSK3BGSK3AMAPK8MAPK10HTR2C
SCHEMBL24010364 0.79 HTR2C (0.39) HTR2CHTR2AUCHL1CYP11B1CYP11B2
SCHEMBL25488283 0.75 GAK (0.40) KDRMET
SCHEMBL25488379 0.74 GRM5 (0.49) GSK3BMAPK8MAPK10MAPT
SCHEMBL25820817 0.74 UCHL1 (0.41) GSK3BGSK3AMAPK8MAPK10HTR2C
SCHEMBL25820818 0.74 UCHL1 (0.42) HTR2CUCHL1CYP11B1CYP11B2HTR2B

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-2023081854-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed