SCHEMBL10475412

SCHEMBL10475412

Nc1ncnc2c1nnn2[C@H]1CC[C@@H](CO)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 2/20 0.58
ADCY5 O95622 8/20 0.47
ADORA2A P29274 5/20 0.43
ADORA3 P0DMS8 4/20 0.41
ADORA2B P29275 3/20 0.41
ADORA1 P30542 3/20 0.41
PDE8B O95263 1/20 0.41
RET P07949 2/20 0.39
JAK2 O60674 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
INSR P06213 1/20 0.38
LCK P06239 1/20 0.38
NPM1 P06748 1/20 0.38
CSF1R P07333 1/20 0.38
LYN P07948 1/20 0.38
IGF1R P08069 1/20 0.38
MET P08581 1/20 0.38
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38

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
SCHEMBL21138477 0.93 AHCY (0.56) AHCYADCY5ADORA2AADORA3ADORA2B
SCHEMBL10475401 0.86 AHCY (0.42) AHCYADCY5ADORA2AADORA3ADORA2B
SCHEMBL24686947 0.83 ADORA2A (0.54) AHCYADCY5ADORA2AADORA3ADORA2B
SCHEMBL21138474 0.82 AHCY (0.48) AHCYADCY5ADORA2AADORA3ADORA2B
SCHEMBL10475250 0.81 AHCY (0.37) AHCYADCY5PDE8B
SCHEMBL21138755 0.80 AHCY (0.47) AHCYADCY5ADORA2AADORA3ADORA2B
SCHEMBL21138855 0.80 AHCY (0.47) AHCYADCY5ADORA2AADORA3ADORA2B
SCHEMBL10474172 0.78 ADCY5 (0.74) AHCYADCY5ADORA2AADORA3ADORA2B
SCHEMBL21138851 0.78 ADORA2A (0.56) AHCYADORA2AADORA3ADORA2BADORA1
SCHEMBL21057392 0.77 AHCY (0.48) AHCYADORA2AADORA3ADORA2BADORA1

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
US-4916224-A VIRICIDES FOR TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1990-04-10 US disclosed