SCHEMBL23330748

SCHEMBL23330748

CCCC(=O)c1cc(-c2cnc3ccccn23)co1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.47
FLT3 P36888 3/20 0.44
PIK3CA P42336 2/20 0.43
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
ADORA2A P29274 2/20 0.37
KDR P35968 3/20 0.37
KIT P10721 1/20 0.37
DYRK1A Q13627 1/20 0.37
ROCK2 O75116 1/20 0.37
GSK3B P49841 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CDK2 P24941 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL23330747 0.88 MIF (0.47) MIFFLT3PIK3CAPRMT5WDR77
SCHEMBL23300731 0.87 PIK3CA (0.45) MIFFLT3PIK3CAPRMT5WDR77
SCHEMBL23331132 0.85 MIF (0.48) MIFFLT3PIK3CAPRMT5WDR77
SCHEMBL29831257 0.73 MIF (0.45) MIFFLT3PIK3CAPRMT5WDR77
SCHEMBL23330745 0.71 FLT3 (0.51) MIFFLT3PIK3CAPRMT5WDR77
SCHEMBL23331141 0.68 HPGD (0.41) MIFIKBKETBK1HPGDSMN1; SMN2
SCHEMBL23330937 0.68 IMPDH2 (0.45) GSK3BHSD17B10
SCHEMBL24721624 0.68 MAPK8 (0.40) MIFFLT3PIK3CAPRMT5WDR77
SCHEMBL2650330 0.67 FLT3 (0.74) MIFFLT3PIK3CAKDRKIT
SCHEMBL16675756 0.67 MIF (0.59) MIFFLT3

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-2021083060-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2021-05-06 WO disclosed