SCHEMBL8804083

SCHEMBL8804083

CC(C)(C)Sc1nc2c(N)ncnc2n1[C@H]1CC(O)[C@@H](CO)O1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.58
▸ ADORA2A P29274 1/20 0.58
▸ HSPA5 P11021 2/20 0.47
▸ HSPA8 P11142 2/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ PNP P00491 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ ATG7 O95352 1/20 0.46
▸ HIF1A Q16665 1/20 0.45
▸ TRPM2 O94759 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ GAPDH P04406 1/20 0.43
▸ HBB P68871 1/20 0.42
▸ ADRB1 P08588 1/20 0.41
▸ DNMT1 P26358 1/20 0.41

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
SCHEMBL8804074 1.00 ADORA3 (0.58) ADORA3ADORA2AHSPA5HSPA8RXFP1
SCHEMBL13479946 0.83 ADORA3 (0.64) ADORA3ADORA2AHSPA5HSPA8RXFP1
SCHEMBL19121006 0.83 ADORA3 (0.64) ADORA3ADORA2AHSPA5HSPA8RXFP1
SCHEMBL658005 0.83 ADORA3 (0.67) ADORA3ADORA2AHSPA5HSPA8RXFP1
SCHEMBL5982454 0.83 ADORA3 (0.67) ADORA3ADORA2AHSPA5HSPA8RXFP1
SCHEMBL658006 0.83 ADORA3 (0.67) ADORA3ADORA2AHSPA5HSPA8RXFP1
SCHEMBL5982465 0.83 ADORA3 (0.67) ADORA3ADORA2AHSPA5HSPA8RXFP1
SCHEMBL24420487 0.82 ADORA3 (0.66) ADORA3ADORA2AHSPA5HSPA8RXFP1
SCHEMBL6302264 0.82 ADORA3 (0.66) ADORA3ADORA2AHSPA5HSPA8RXFP1
SCHEMBL18952838 0.82 ADORA3 (0.66) ADORA3ADORA2AHSPA5HSPA8RXFP1

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
EP-0753525-A1 CYCLIC NUCLEOTIDE DERIVATIVE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1997-01-15 — — EP disclosed
Send feedback