SCHEMBL5017701

SCHEMBL5017701

Nc1nc(Nc2ccc(F)cc2)nc(N(Cc2ccco2)c2ccc(F)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 4/20 0.62
MAPT P10636 6/20 0.44
KDM4E B2RXH2 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPK1 P28482 5/20 0.44
NPSR1 Q6W5P4 2/20 0.44
XBP1 P17861 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.40
BLM P54132 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
USP2 O75604 1/20 0.39
RECQL P46063 2/20 0.37
ADORA2A P29274 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 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
SCHEMBL540938 0.77 KCNH3 (0.91) KCNH3MAPTKMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL1281689 0.76 KCNH3 (1.00) KCNH3MAPTKDM4EKMT2AMAPK1
SCHEMBL1923896 0.76 KCNH3 (0.81) KCNH3MAPTKDM4EKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL540872 0.75 KCNH3 (0.82) KCNH3MAPTKDM4EKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL540609 0.75 KCNH3 (0.82) KCNH3KDM4ESMN1; SMN2BLMTDP1
SCHEMBL2453813 0.70 GAA (0.73) KCNH3MAPTKDM4EKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL540943 0.70 KCNH3 (0.73) KCNH3MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL1924291 0.69 KCNH3 (0.84) KCNH3MAPTKDM4EKMT2AMAPK1
SCHEMBL21530413 0.68 NPC1 (0.54) MAPTKDM4EKMT2AMAPK1XBP1
SCHEMBL5014129 0.68 KCNH3 (0.97) KCNH3MAPTKDM4EKMT2AMAPK1

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
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US claimed