SCHEMBL8623183

SCHEMBL8623183

Cc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@@H]1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
BCHE P06276 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
SLC29A1 Q99808 5/20 0.43
DPP4 P27487 1/20 0.42
MEN1 O00255 1/20 0.42
SLC28A1 O00337 1/20 0.42
MAP3K7 O43318 1/20 0.42
SLC28A2 O43868 1/20 0.42
GAPDH P04406 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
MAPK1 P28482 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
STAT6 P42226 1/20 0.42
PI4KA P42356 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8623186 1.00 EGFR (0.45) EGFRERBB2BCHESMN1; SMN2TP53
SCHEMBL8616452 0.87 EGFR (0.46) EGFRERBB2BCHESMN1; SMN2TP53
SCHEMBL30998177 0.87 EGFR (0.46) EGFRERBB2BCHESMN1; SMN2TP53
SCHEMBL969339 0.87 EGFR (0.46) EGFRERBB2BCHESMN1; SMN2TP53
SCHEMBL9447631 0.87 EGFR (0.46) EGFRERBB2BCHESMN1; SMN2TP53
SCHEMBL3067 0.87 EGFR (0.46) EGFRERBB2BCHESMN1; SMN2TP53
SCHEMBL8616460 0.87 EGFR (0.46) EGFRERBB2BCHESMN1; SMN2TP53
SCHEMBL342030 0.87 EGFR (0.46) EGFRERBB2BCHESMN1; SMN2TP53
SCHEMBL3039007 0.87 SLC29A1 (0.55) BCHESMN1; SMN2TP53SLC29A1DPP4
SCHEMBL8619307 0.86 SMN1; SMN2 (0.45) EGFRERBB2BCHESMN1; SMN2TP53

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
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
WO-1992001700-A1 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, U.S. DEPARTMENT OF COMMERCE (US) 1992-02-06 WO disclosed