SCHEMBL21887928

SCHEMBL21887928

NC(=O)c1cn([C@@H]2O[C@H](COP(=O)(O)O)C(=O)C2=O)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATIC P31939 2/20 0.40
FBP1 P09467 2/20 0.40
UMPS P11172 1/20 0.34
LDHA P00338 2/20 0.33
DNPH1 O43598 1/20 0.32
PRKAB2 O43741 1/20 0.32
TRPM2 O94759 1/20 0.32
ADRB2 P07550 1/20 0.32
SRC P12931 1/20 0.32
ADORA1 P30542 1/20 0.32
P2RY2 P41231 1/20 0.32
P2RY1 P47900 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PDE4D Q08499 1/20 0.32
KCNH2 Q12809 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PDE3A Q14432 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32

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
SCHEMBL21888098 0.81 ATIC (0.38) ATICFBP1UMPSLDHATK1
SCHEMBL24024486 0.76 ATIC (0.62) ATICFBP1UMPSLDHADNPH1
SCHEMBL29687021 0.76 ATIC (0.62) ATICFBP1UMPSLDHADNPH1
SCHEMBL21887947 0.74 TYMS (0.47)
SCHEMBL21888262 0.70 ATIC (0.43) ATICFBP1UMPSLDHADNPH1
SCHEMBL21888048 0.68 LMNA (0.41) ATICFBP1ADORA1SMN1; SMN2
SCHEMBL21888051 0.68 LMNA (0.41) ATICFBP1ADORA1SMN1; SMN2
SCHEMBL21887950 0.68 LMNA (0.41) ATICFBP1ADORA1P2RY2SMN1; SMN2
SCHEMBL4358224 0.66 ATIC (0.55) ATICFBP1LDHADNPH1PRKAB2
SCHEMBL21888123 0.65 LMNA (0.39) ATICFBP1ADORA1SMN1; SMN2

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