SCHEMBL9496017

SCHEMBL9496017

CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1O

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.77
ADORA3 P0DMS8 4/20 0.77
LMNA P02545 1/20 0.73
TP53 P04637 1/20 0.73
ADORA2A P29274 3/20 0.73
ADORA2B P29275 1/20 0.73
MEN1 O00255 1/20 0.73
CYP1A2 P05177 1/20 0.73
MAPK1 P28482 1/20 0.73
KMT2A Q03164 1/20 0.73
RXFP1 Q9HBX9 1/20 0.71
HTR2C P28335 1/20 0.69

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
SCHEMBL1994057 1.00 ADORA1 (0.77) ADORA1ADORA3LMNATP53ADORA2A
SCHEMBL1994061 1.00 ADORA1 (0.77) ADORA1ADORA3LMNATP53ADORA2A
SCHEMBL4134920 1.00 ADORA1 (0.77) ADORA1ADORA3LMNATP53ADORA2A
SCHEMBL9142291 1.00 ADORA1 (0.77) ADORA1ADORA3LMNATP53ADORA2A
SCHEMBL17921080 0.90 ADORA3 (0.72) ADORA1ADORA3LMNATP53ADORA2A
SCHEMBL8820476 0.90 LMNA (0.75) ADORA1ADORA3LMNATP53ADORA2A
SCHEMBL8820466 0.90 LMNA (0.75) ADORA1ADORA3LMNATP53ADORA2A
SCHEMBL5389231 0.89 LMNA (0.71) ADORA1ADORA3LMNATP53ADORA2A
SCHEMBL6259651 0.89 LMNA (0.71) ADORA1ADORA3LMNATP53ADORA2A
SCHEMBL6259647 0.89 LMNA (0.71) ADORA1ADORA3LMNATP53ADORA2A

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-0253962-B1 USE OF ADENOSINE DERIVATIVES AS ANTI-DEMENTIA AGENTS HOECHST JAPAN LIMITED (JP) 1993-03-24 EP disclosed