SCHEMBL30366376

SCHEMBL30366376

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.46
ATR Q13535 1/20 0.41
POLB P06746 3/20 0.37
PIK3CA P42336 7/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
ESR2 Q92731 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CD O00329 1/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL30366406 0.83 GAA (0.46) POLBPIK3CAHPGDLMNAHSD17B10
SCHEMBL26079080 0.70 GAA (0.47) POLBPIK3CAHPGDLMNAHSD17B10
SCHEMBL21054975 0.69 MAPT (0.57) HPGDLMNAKDM4EMAPTALDH1A1
SCHEMBL21135207 0.69 ATR (0.41) ATRPOLBPIK3CAHPGDLMNA
SCHEMBL26072359 0.68 PIK3CA (0.50) KMOPOLBPIK3CAPIK3R1PIK3CD
SCHEMBL21135206 0.67 ATR (0.38) ATRPOLBPIK3CAHPGDLMNA
SCHEMBL21033175 0.67 KDM4E (0.54) KMOPOLBPKMLMNAKDM4E
SCHEMBL26072768 0.67 RXFP1 (0.56) KMOPOLBPIK3CAPKMCFTR
SCHEMBL16950261 0.67 KMO (0.55) KMOPOLBPIK3CAPKMLMNA
SCHEMBL21135204 0.66 PIK3CB (0.39) ATRPOLBPIK3CALMNAHTT

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