SCHEMBL3776182

SCHEMBL3776182

CCOc1nc(CCN)nc2nnc(-c3ccc(F)cc3)nc12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.33
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SQOR Q9Y6N5 2/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3785844 0.83 MPO (0.43) SQORTSHRHSD17B10
SCHEMBL3776179 0.78 MPO (0.39) NPC1HTTRAB9ASMN1; SMN2SQOR
SCHEMBL3787051 0.76 MEN1 (0.39) SMN1; SMN2SQORMAPTMEN1KMT2A
SCHEMBL3787119 0.76 KCNH3 (0.39) HTTRAB9AHSD17B10MAPTMEN1
SCHEMBL3782859 0.74 KCNH3 (0.47)
SCHEMBL3713217 0.74 KCNH3 (0.41) HTTMAPT
SCHEMBL3782046 0.73 MPO (0.45) SMN1; SMN2TSHRHSD17B10MAPTTP53
SCHEMBL3782854 0.72 NPSR1 (0.39)
SCHEMBL3783407 0.70 CA1 (0.42) MAPTTP53GAA
SCHEMBL3779747 0.69 MPO (0.38) NPC1HTTRAB9ASMN1; SMN2TSHR

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-2010083645-A1 PYRIMIDO[5,4-e][1,2,4]TRIAZINES AND USES THEREOF SHANGHAI TARGETDRUG CO., LTD (CN) 2010-07-29 WO disclosed