SCHEMBL18171875

SCHEMBL18171875

Brc1ccc2nc(CNCc3ccccc3)cnc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.43
CCR5 P51681 1/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
MAPT P10636 1/20 0.40
PDE10A Q9Y233 1/20 0.39
PDE5A O76074 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
KDM4A O75164 1/20 0.39
KDM4B O94953 1/20 0.39
KDM5C P41229 1/20 0.39
KDM5B Q9UGL1 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
SCHEMBL782190 0.83 PKM (0.48) ALDH1A1HDAC1HDAC2CCNCCDK8
SCHEMBL18171881 0.79 PDGFRB (0.61) HTTSMN1; SMN2LMNAALDH1A1CCNC
SCHEMBL782077 0.78 KCNH2 (0.43) HTTSMN1; SMN2HDAC1HDAC2
SCHEMBL18171879 0.76 LMNA (0.49) HTTSMN1; SMN2LMNAALDH1A1PDE10A
SCHEMBL18614405 0.72 PIK3CA (0.47) HTTLMNAHDAC1HDAC2MAPT
SCHEMBL13226945 0.72 PABPC1 (0.41) HTTALDH1A1CCNCCDK8MAPT
SCHEMBL780199 0.72 PABPC1 (0.44) HTTMAPTPDE10A
SCHEMBL28357678 0.69 MEN1 (0.58) LMNAMAPT
SCHEMBL7994379 0.69 PABPC1 (0.38) HTTALDH1A1CCNCCDK8MAPT
SCHEMBL18171874 0.69 HDAC8 (0.38) HTTSMN1; SMN2LMNAALDH1A1CCNC

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-2016170163-A1 SUBSTITUTED QUINOXALINES AND BENZOTRIAZINE P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2016-10-27 WO disclosed