SCHEMBL27253441

SCHEMBL27253441

c1ccc2c(c1)cnn2-c1ccc(NC2CCCC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.46
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
HCAR3 P49019 2/20 0.44
TP53 P04637 3/20 0.42
PDE10A Q9Y233 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
LRRK2 Q5S007 1/20 0.39
MAPK1 P28482 4/20 0.38
LMNA P02545 1/20 0.38
CDK4 P11802 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL27253438 0.82 KDM4E (0.51) MAPK10MAPK8MAPK9HCAR3TP53
SCHEMBL27251805 0.79 PCSK9 (0.44) MAPK10MAPK8MAPK9MGAMGAA
SCHEMBL31063901 0.79 PCSK9 (0.44) MAPK10MAPK8MAPK9MGAMGAA
SCHEMBL4013746 0.78 MKNK1 (0.53) MAPK10MAPK8MAPK9TP53PDE10A
SCHEMBL22242768 0.74 HCAR3 (0.47) MAPK10MAPK8MAPK9HCAR3TP53
SCHEMBL27253442 0.73 ADORA3 (0.46) MAPK10MAPK9HCAR3KDM4ELMNA
SCHEMBL4176633 0.73 KCNN2 (0.60) MAPK10MAPK8MAPK9PDE10AGAA
SCHEMBL27253443 0.73 HCAR3 (0.45) MAPK10HCAR3TP53KDM4ELMNA
SCHEMBL14193418 0.72 MAPK8 (0.79) MAPK10MAPK8MAPK9
SCHEMBL27260448 0.72 PIK3CA (0.44) HCAR3

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-2024062090-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-03-28 WO disclosed