SCHEMBL8623943

SCHEMBL8623943

Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)C[C@H]1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NADK O95544 2/20 0.53
ADORA2A P29274 7/20 0.50
ADORA1 P30542 7/20 0.50
ADORA2B P29275 6/20 0.50
ADORA3 P0DMS8 5/20 0.50
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
HSPA5 P11021 2/20 0.47
HSPA8 P11142 2/20 0.47
RAPGEF3 O95398 1/20 0.46
TSHR P16473 1/20 0.46
HIF1A Q16665 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
PMP22 Q01453 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.43
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL8623937 1.00 NADK (0.53) NADKADORA2AADORA1ADORA2BADORA3
SCHEMBL3704527 0.88 NADK (0.57) NADKADORA2AADORA1ADORA2BADORA3
SCHEMBL3701954 0.88 NADK (0.57) NADKADORA2AADORA1ADORA2BADORA3
SCHEMBL8621046 0.88 AMD1 (0.52) ADORA3HSPA5HSPA8RXFP1HSD17B10
SCHEMBL8621042 0.88 AMD1 (0.52) ADORA3HSPA5HSPA8RXFP1HSD17B10
SCHEMBL9698117 0.83 NADK (0.44) NADKADORA2AADORA1ADORA2BADORA3
Lodenosine SCHEMBL22869478 0.78 EGFR (0.61) ADORA2AADORA1ADORA2BADORA3
Lodenosine SCHEMBL30998176 0.78 EGFR (0.61) ADORA2AADORA1ADORA2BADORA3
Lodenosine SCHEMBL3483 0.78 EGFR (0.61) ADORA2AADORA1ADORA2BADORA3
Lodenosine SCHEMBL8451244 0.78 EGFR (0.61) ADORA2AADORA1ADORA2BADORA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817799-A 2'-Fluorofuranosyl derivatives and methods for preparing 2'-fluoropyrimidine and 2'-fluoropurine nucleosides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-10-06 US disclosed
EP-0540686-B1 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES US COMMERCE (US) 1995-08-30 EP disclosed
US-5336764-A 2'-fluorofuranosyl derivatives and novel method of preparing 2'-fluoropyrimidine and 2'-fluoropurine nucleosides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-08-09 US disclosed