SCHEMBL20419183

SCHEMBL20419183

COc1cc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@H](O)C1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 2/20 0.48
▸ HSPA8 P11142 2/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ ADK P55263 2/20 0.45
▸ DOT1L Q8TEK3 2/20 0.45
▸ CDK5 Q00535 2/20 0.45
▸ DCLK1 O15075 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ DYRK3 O43781 1/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ ROS1 P08922 1/20 0.45
▸ RPS6KB1 P23443 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ CSNK1A1 P48729 1/20 0.45
▸ CSNK1D P48730 1/20 0.45
▸ CLK2 P49760 1/20 0.45
▸ IRAK1 P51617 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ MELK Q14680 1/20 0.45

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
SCHEMBL20419169 0.90 HSPA8 (0.58) HSPA5HSPA8RXFP1DOT1LCDK5
SCHEMBL20419330 0.90 HSPA8 (0.58) HSPA5HSPA8RXFP1DOT1LCDK5
SCHEMBL20419188 0.77 HSPA8 (0.39) HSPA5HSPA8RXFP1DOT1LCDK1
SCHEMBL6380760 0.76 HSPA8 (0.61) HSPA5HSPA8RXFP1ADKDOT1L
SCHEMBL1740449 0.75 HSPA5 (0.63) HSPA5HSPA8RXFP1ADKDOT1L
SCHEMBL20419157 0.73 HSPA5 (0.61) HSPA5HSPA8RXFP1ADKDOT1L
SCHEMBL14853733 0.71 ADORA3 (0.80) DOT1LSLC28A2ADORA3SMN1; SMN2DPP4
SCHEMBL16341965 0.71 ADORA3 (0.80) DOT1LSLC28A2ADORA3SMN1; SMN2DPP4
SCHEMBL14946319 0.71 ADORA3 (0.80) DOT1LSLC28A2ADORA3SMN1; SMN2DPP4
SCHEMBL4463234 0.71 ADORA3 (0.80) DOT1LSLC28A2ADORA3SMN1; SMN2DPP4

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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