SCHEMBL20419188

SCHEMBL20419188

COc1cc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@H](O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA8 P11142 3/20 0.39
▸ HSPA5 P11021 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ SLC28A2 O43868 4/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ ADORA2A P29274 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ SLC28A1 O00337 1/20 0.36
▸ MAP3K7 O43318 1/20 0.36
▸ GAPDH P04406 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ADORA2B P29275 1/20 0.36

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
SCHEMBL20419330 0.80 HSPA8 (0.58) HSPA8HSPA5RXFP1CDK1CCNB1
SCHEMBL20419169 0.80 HSPA8 (0.58) HSPA8HSPA5RXFP1CDK1CCNB1
SCHEMBL20419183 0.77 HSPA5 (0.48) HSPA8HSPA5RXFP1CDK1CDK2
SCHEMBL30870546 0.71 ADORA3 (0.62) SLC28A2HIF1AADORA2ASMN1; SMN2DPP4
SCHEMBL6380760 0.67 HSPA8 (0.61) HSPA8HSPA5RXFP1CDK1CCNB1
SCHEMBL1740449 0.66 HSPA5 (0.63) HSPA8HSPA5RXFP1CDK1CCNB1
SCHEMBL19038496 0.65 ADORA2A (0.61) HSPA8HSPA5RXFP1ADORA2AADORA3
SCHEMBL20419157 0.65 HSPA5 (0.61) HSPA8HSPA5RXFP1CDK1CCNB1
SCHEMBL6839954 0.65 ADORA2A (0.60) HSPA8HSPA5RXFP1ADORA2AADORA3
SCHEMBL6840004 0.64 HSPA8 (0.60) HSPA8HSPA5RXFP1CDK1CCNB1

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-2018133854-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-07-26 — — WO disclosed
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