SCHEMBL7993183

SCHEMBL7993183

O=c1cc(-c2ccncc2)[nH]c(NCCCn2ccnc2)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.51
SOD1 P00441 2/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 3/20 0.43
ATM Q13315 1/20 0.43
NAMPT P43490 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GSK3A P49840 3/20 0.42
GSK3B P49841 3/20 0.42
QPCT Q16769 4/20 0.42
MITF O75030 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DRD4 P21917 1/20 0.40

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
SCHEMBL5390245 0.80 PRKCA (0.43) PIM1KDM4EMEN1KMT2AGSK3B
SCHEMBL21637909 0.75 XDH (0.54) PIM1SOD1NPC1SMN1; SMN2KDM4E
SCHEMBL6936729 0.74 QPCT (0.53) PIM1KDM4ENAMPTMEN1KMT2A
SCHEMBL7992854 0.73 GPR84 (0.41) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7989807 0.72 CDC7 (0.39) MEN1KMT2AGSK3AGSK3BDRD4
SCHEMBL7993027 0.71 CA1 (0.40) PIM1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL5375269 0.71 CDC7 (0.43) GSK3B
SCHEMBL7978450 0.71 GPR84 (0.44) PIM1KDM4EGSK3B
SCHEMBL7996288 0.70 MTNR1A (0.46) GSK3AGSK3B
SCHEMBL5380552 0.70 XDH (0.53) PIM1SMN1; SMN2KDM4ERAB9ANAMPT

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-2001070727-A1 2-(ARYLALKYLAMINO)PYRIMIDONE DERIVATIVES AND 2-(HETEROARYLALKYLAMINO)PYRIMIDONE DERIVATIVES SANOFI-SYNTHELABO (FR) 2001-09-27 WO claimed