SCHEMBL21246745

SCHEMBL21246745

Cn1cnc2c(c(Br)nn2CC(=O)O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.47
LMNA P02545 3/20 0.39
BCAT2 O15382 1/20 0.39
HPGD P15428 1/20 0.39
SYK P43405 1/20 0.35
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
BCL6 P41182 2/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PIK3CD O00329 1/20 0.33
POLB P06746 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CNR1 P21554 1/20 0.33
ACHE P22303 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
NTSR1 P30989 1/20 0.33

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
SCHEMBL21246867 0.88 SMN1; SMN2 (0.45) ADORA2BLMNAHPGDSYKMAPT
SCHEMBL22569492 0.74 JAK2 (0.37) LMNAALDH1A1ALOX15CSNK2A2CSNK2A1
SCHEMBL21262261 0.70 ADORA2B (0.47) ADORA2BLMNABCAT2HPGDSYK
SCHEMBL356160 0.64 ADORA2B (1.00) ADORA2BLMNAPIK3CDPOLBADORA3
SCHEMBL2830735 0.64 ADORA2B (0.79) ADORA2BLMNAPIK3CDPOLBADORA3
SCHEMBL30529493 0.63 SMN1; SMN2 (0.46) ADORA2BLMNAHPGDALDH1A1POLB
SCHEMBL21246730 0.63 CCR4 (0.39) LMNAHPGDMAPTALDH1A1
SCHEMBL11635641 0.63 ALDH1A1 (0.56) LMNAMAPTALDH1A1
Ethane SCHEMBL11629623 0.63 LMNA (0.46) LMNAMAPTALDH1A1ALOX15CSNK2A2
SCHEMBL17163983 0.63 ADORA2B (0.51) ADORA2BLMNAALDH1A1POLBNOTUM

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
EP-3749672-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF Ontario Institute for Cancer Research (OICR) (CA) 2020-12-16 EP disclosed
WO-2019153080-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-08-15 WO disclosed