SCHEMBL24955685

SCHEMBL24955685

Cn1cnc2c(N3CC4(COC4)C3)nc(C#Cc3nc(-c4ccccc4)c[nH]3)nc21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.37
SYK P43405 2/20 0.35
LRRK2 Q5S007 1/20 0.34
ADORA1 P30542 2/20 0.34
PIK3CA P42336 1/20 0.34
MAP3K12 Q12852 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
TSPO P30536 1/20 0.31

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
SCHEMBL30202121 1.00 CNR2 (0.37) CNR2SYKLRRK2ADORA1PIK3CA
SCHEMBL24955681 0.86 PIK3CA (0.46) LRRK2ADORA1PIK3CA
SCHEMBL30202293 0.84 LRRK2 (0.34) LRRK2ADORA1PIK3CAMAP3K12ADORA3
SCHEMBL24956765 0.84 LRRK2 (0.34) LRRK2ADORA1PIK3CAMAP3K12ADORA3
SCHEMBL30203054 0.84 CNR2 (0.38) CNR2SYKADORA1PIK3CAMAP3K12
SCHEMBL24956763 0.79 MTOR (0.49) LRRK2PIK3CA
SCHEMBL30202095 0.79 MTOR (0.49) LRRK2PIK3CA
SCHEMBL24954157 0.79 MTOR (0.49) LRRK2PIK3CA
SCHEMBL30202154 0.79 MTOR (0.49) LRRK2PIK3CA
SCHEMBL30202224 0.77 PIK3CA (0.37) CNR2SYKPIK3CA

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-2023007185-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE Benevolentai Cambridge Limited (GB) 2023-02-02 WO disclosed