SCHEMBL20419191

SCHEMBL20419191

Nc1ncnc2c1cc(Br)n2[C@@H]1O[C@H](CO)C[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF3 O95398 1/20 0.49
▸ ADK P55263 2/20 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
▸ HSPA5 P11021 2/20 0.38
▸ HSPA8 P11142 2/20 0.38
▸ ADORA3 P0DMS8 3/20 0.36
▸ SLC29A1 Q99808 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
▸ SLC28A2 O43868 1/20 0.36
▸ GAPDH P04406 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ADORA2A P29274 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
SCHEMBL20917327 1.00 RAPGEF3 (0.49) RAPGEF3ADKCDK1CCNB1CCNA2
SCHEMBL20419165 1.00 RAPGEF3 (0.49) RAPGEF3ADKCDK1CCNB1CCNA2
SCHEMBL20419186 0.80 CDK2 (0.49) ADKCDK1CCNB1CCNA2CDK2
SCHEMBL3704527 0.80 NADK (0.57) RAPGEF3HSPA5HSPA8ADORA3ADORA2A
SCHEMBL20419168 0.80 CDK2 (0.49) ADKCDK1CCNB1CCNA2CDK2
SCHEMBL3701954 0.80 NADK (0.57) RAPGEF3HSPA5HSPA8ADORA3ADORA2A
SCHEMBL20419157 0.79 HSPA5 (0.61) RAPGEF3ADKCDK1CCNB1CCNA2
SCHEMBL23982356 0.77 ADK (0.58) RAPGEF3ADK
SCHEMBL20938183 0.77 ADK (0.58) RAPGEF3ADK
SCHEMBL20938420 0.77 ADK (0.58) RAPGEF3ADK

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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