SCHEMBL21887948

SCHEMBL21887948

N=C(N)c1ncn([C@H]2CC[C@@H](COP(=O)(O)O)O2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.41
ATIC P31939 2/20 0.34
FBP1 P09467 2/20 0.34
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ADORA1 P30542 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
EIF4E P06730 1/20 0.32
CYP3A4 P08684 1/20 0.32
TOP1 P11387 1/20 0.32
TSHR P16473 1/20 0.32
THPO P40225 1/20 0.32
PMP22 Q01453 1/20 0.32
DNPH1 O43598 1/20 0.31
PRKAB2 O43741 1/20 0.31
TRPM2 O94759 1/20 0.31
LDHA P00338 1/20 0.31
ADRB2 P07550 1/20 0.31
SRC P12931 1/20 0.31

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
SCHEMBL21888938 1.00 PNP (0.41) PNPATICFBP1LMNASMN1; SMN2
SCHEMBL21887954 0.90 LMNA (0.42) ATICFBP1LMNASMN1; SMN2ADORA1
SCHEMBL21887946 0.81 LMNA (0.41) ATICFBP1LMNASMN1; SMN2ADORA1
SCHEMBL21887982 0.81 LMNA (0.41) ATICFBP1LMNASMN1; SMN2ADORA1
SCHEMBL21888073 0.81 PNP (0.48) PNPATICFBP1LMNASMN1; SMN2
SCHEMBL21888254 0.81 PNP (0.40) PNPATICFBP1LMNASMN1; SMN2
SCHEMBL21887963 0.80 LMNA (0.39) ATICFBP1LMNASMN1; SMN2ADORA1
SCHEMBL21887944 0.80 LMNA (0.39) ATICFBP1LMNASMN1; SMN2ADORA1
SCHEMBL21887961 0.79 LMNA (0.39) ATICFBP1LMNASMN1; SMN2ADORA1
SCHEMBL21888087 0.77 FBP1 (0.49) ATICFBP1LMNASMN1; SMN2ADORA1

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-2020072931-A2 PRE-ACTIVATED NUCLEOSIDE IMPDH INHIBITORS AS ANTI-INFECTIVE DRUGS OCTAGON THERAPEUTICS INC. (US) 2020-04-09 WO disclosed