SCHEMBL28638932

SCHEMBL28638932

Cc1nc2c(N)nc(F)nc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
NT5E P21589 1/20 0.61
HIF1A Q16665 1/20 0.61
HSPA8 P11142 4/20 0.55
HSPA5 P11021 2/20 0.55
AMD1 P17707 4/20 0.54
RXFP1 Q9HBX9 1/20 0.53
GAPDH P04406 2/20 0.51
HSD17B10 Q99714 1/20 0.51
SLC28A2 O43868 1/20 0.48
TP53 P04637 1/20 0.47
HBB P68871 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PNP P00491 1/20 0.47

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
SCHEMBL14075808 0.88 HSPA8 (0.57) LMNAHSPA8HSPA5AMD1RXFP1
SCHEMBL23982290 0.88 LMNA (0.64) LMNANT5EHIF1AHSPA8HSPA5
SCHEMBL18740403 0.88 HSPA8 (0.57) LMNAHSPA8HSPA5AMD1RXFP1
SCHEMBL28646728 0.86 LMNA (0.61) LMNANT5EHIF1AHSPA8HSPA5
SCHEMBL5034807 0.86 HSPA8 (0.55) LMNAHSPA8HSPA5AMD1RXFP1
SCHEMBL5034818 0.86 HSPA8 (0.55) LMNAHSPA8HSPA5AMD1RXFP1
SCHEMBL14075810 0.86 HSPA8 (0.55) LMNAHSPA8HSPA5AMD1RXFP1
SCHEMBL15906323 0.82 HSPA8 (0.80) LMNAHSPA8HSPA5AMD1RXFP1
SCHEMBL13787725 0.82 HSPA8 (0.56) LMNAHSPA8HSPA5AMD1RXFP1
SCHEMBL967124 0.82 HSPA8 (0.80) LMNAHSPA8HSPA5AMD1RXFP1

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
CN-113549076-A Polysubstituted purine compound and preparation method and application thereof 中国药科大学 2021-10-26 CN disclosed