SCHEMBL21888098

SCHEMBL21888098

NC(=O)c1cn([C@H]2CC(=O)[C@@H](COP(=O)(O)O)O2)cn1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATIC P31939 2/20 0.38
FBP1 P09467 1/20 0.38
LDHA P00338 1/20 0.33
TK1 P04183 1/20 0.32
UMPS P11172 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
SCHEMBL21887928 0.81 ATIC (0.40) ATICFBP1LDHATK1UMPS
SCHEMBL21888941 0.78 LMNA (0.41) ATICFBP1LDHATK1
SCHEMBL21887947 0.78 TYMS (0.47)
SCHEMBL21888939 0.77 ATIC (0.48) ATICFBP1LDHA
SCHEMBL24024486 0.73 ATIC (0.62) ATICFBP1LDHAUMPS
SCHEMBL29687021 0.73 ATIC (0.62) ATICFBP1LDHAUMPS
SCHEMBL21888254 0.73 PNP (0.40) ATICFBP1LDHATK1
SCHEMBL21888121 0.70 LMNA (0.39) ATICFBP1
SCHEMBL21887985 0.70 LMNA (0.39) ATICFBP1
SCHEMBL21888262 0.70 ATIC (0.43) ATICFBP1LDHAUMPS

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