SCHEMBL30366406

SCHEMBL30366406

CCOC(=O)c1cn2c(N3CCOCC3)nc(Br)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
PIK3CA P42336 1/20 0.44
KDM4E B2RXH2 6/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 1/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX15 P16050 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AKT1 P31749 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39

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
SCHEMBL26079080 0.89 GAA (0.47) GAAPIK3CAKDM4ENPC1RAB9A
SCHEMBL30366376 0.83 KMO (0.46) PIK3CAKDM4ENPC1RAB9APOLB
SCHEMBL26071660 0.78 GAA (0.54) GAAKDM4ENPC1RAB9ARXFP1
SCHEMBL30366650 0.77 GAA (0.53) GAAKDM4ENPC1RAB9ARXFP1
SCHEMBL16277642 0.75 TP53 (0.48) GAAPIK3CAKDM4ERXFP1POLB
SCHEMBL19736708 0.73 KDM4E (0.54) GAAPIK3CAKDM4ENPC1RAB9A
SCHEMBL16283454 0.72 TP53 (0.49) GAAPIK3CAKDM4ERXFP1POLB
SCHEMBL26072211 0.72 PIK3CA (0.44) GAAPIK3CAKDM4ERXFP1POLB
SCHEMBL17594976 0.72 PIK3CA (0.54) GAAPIK3CAKDM4EPOLBKMT2A
SCHEMBL24378546 0.72 DPP4 (0.45) GAAPIK3CAKDM4EALDH1A1L3MBTL1

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
EP-4165045-A1 DUAL KINASE-BROMODOMAIN INHIBITORS Monash University (AU) 2023-04-19 EP disclosed