SCHEMBL20419186

SCHEMBL20419186

Nc1ncnc2c1c(Br)c(Br)n2C1O[C@H](CO)CC1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 3/20 0.49
▸ CCNA2 P20248 2/20 0.49
▸ CCNA1 P78396 2/20 0.49
▸ CDK1 P06493 2/20 0.49
▸ CCNB1 P14635 1/20 0.49
▸ CDK5 Q00535 2/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ ADK P55263 9/20 0.43
▸ HSPA8 P11142 2/20 0.40
▸ HIF1A Q16665 1/20 0.39
▸ METTL3 Q86U44 1/20 0.39
▸ DOT1L Q8TEK3 1/20 0.39
▸ DCLK1 O15075 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ ROS1 P08922 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ CSNK1A1 P48729 1/20 0.39
▸ CSNK1D P48730 1/20 0.39

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
SCHEMBL20419168 1.00 CDK2 (0.49) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL20419165 0.80 RAPGEF3 (0.49) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL20917327 0.80 RAPGEF3 (0.49) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL20419136 0.80 ADK (0.59) ADKMETTL3
SCHEMBL20419234 0.80 ADK (0.59) ADKMETTL3
SCHEMBL3704527 0.80 NADK (0.57) HSPA8HIF1A
SCHEMBL3701954 0.80 NADK (0.57) HSPA8HIF1A
SCHEMBL20938262 0.80 ADK (0.59) ADKMETTL3
SCHEMBL20419191 0.80 RAPGEF3 (0.49) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL20419180 0.80 ADORA3 (0.52) CDK2CCNA2CCNA1CDK1CCNB1

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
Send feedback