SCHEMBL8926331

SCHEMBL8926331

Nc1ccn(C(=O)C(F)(F)C[C@H](O)CO)c(=O)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
PDE3A Q14432 3/20 0.34
PDE4D Q08499 1/20 0.34
SLC29A1 Q99808 1/20 0.34
LMNA P02545 3/20 0.33
THRB P10828 1/20 0.33
MTOR P42345 1/20 0.33
MDM2 Q00987 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
CACNA1F O60840 2/20 0.32
ALB P02768 2/20 0.32
MAPT P10636 2/20 0.32
CACNA1D Q01668 2/20 0.32
CACNA1S Q13698 2/20 0.32
CACNA1C Q13936 2/20 0.32
NT5E P21589 1/20 0.30

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
SCHEMBL17372493 0.81 PDE3A (0.35) FGFR1SLC22A6PDE3APDE4DSLC29A1
SCHEMBL2511488 0.80 FGFR1 (0.36) FGFR1SLC22A6PDE3APDE4DSLC29A1
SCHEMBL9177313 0.80 FGFR1 (0.36) FGFR1SLC22A6PDE3APDE4DSLC29A1
SCHEMBL8743037 0.80 FGFR1 (0.36) FGFR1SLC22A6PDE3APDE4DSLC29A1
SCHEMBL8743030 0.80 FGFR1 (0.36) FGFR1SLC22A6PDE3APDE4DSLC29A1
SCHEMBL8927492 0.79 ALB (0.35) ALB
Hydrochloric Acid SCHEMBL31390165 0.79 FGFR1 (0.36) FGFR1SLC22A6PDE3APDE4DSLC29A1
Hydrochloric Acid SCHEMBL22411438 0.79 FGFR1 (0.36) FGFR1SLC22A6PDE3APDE4DSLC29A1
SCHEMBL8927153 0.78
SCHEMBL8927502 0.78 ADORA2A (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5644043-A ANTITUMOR, ANTICANCER, TREATMENT OF HERPES ELI LILLY AND COMPANY (US) 1997-07-01 US disclosed
US-5574021-A LEUKEMIA ELI LILLY AND COMPANY (US) 1996-11-12 US disclosed
EP-0329348-B1 2',3'-Dideoxy-2',2'-difluoronucleosides LILLY CO ELI (US) 1995-07-12 EP disclosed
EP-0329348-A2 2',3'-Dideoxy-2',2'-difluoronucleosides ELI LILLY AND COMPANY (US) 1989-08-23 EP disclosed