SCHEMBL29954039

SCHEMBL29954039

Nc1nc(=O)c(C=O)c(Cl)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ TYMS P04818 1/20 0.32
▸ XDH P47989 1/20 0.32
▸ LMNA P02545 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
SCHEMBL29952359 0.79 PNP (0.34) PNPCYP3A4BLM
SCHEMBL29951354 0.72 PNP (0.41) PNPTYMSXDHLMNA
SCHEMBL29954149 0.67 CDK1 (0.48) PNPLMNA
SCHEMBL9983171 0.65 TYMS (0.38) CYP3A4BLMTYMSLMNA
SCHEMBL192661 0.61 LMNA (0.55) LMNA
SCHEMBL460884 0.60 PNP (0.39) PNPCYP3A4BLMXDHLMNA
SCHEMBL17844454 0.59 ALDH1A1 (0.49) PNPCYP3A4BLM
SCHEMBL13613552 0.58 TDP1 (0.44) CYP3A4XDHLMNA
SCHEMBL13833613 0.58 — —
SCHEMBL28433595 0.58 MEN1 (0.32) —

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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