SCHEMBL20018627

SCHEMBL20018627

Nc1ccn(C[C@@H]2O[C@H](CO)CC2(F)F)c(=O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 3/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ SLC29A1 Q99808 1/20 0.46
▸ FGFR1 P11362 4/20 0.46
▸ LMNA P02545 4/20 0.42
▸ CACNA1F O60840 2/20 0.42
▸ ALB P02768 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CACNA1D Q01668 2/20 0.42
▸ CACNA1S Q13698 2/20 0.42
▸ CACNA1C Q13936 2/20 0.42
▸ THRB P10828 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ SLC22A6 Q4U2R8 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL21756756 0.81 POLG (0.50) FGFR1POLBPOLA1POLG
SCHEMBL2912374 0.80 PDE3A (0.62) PDE3APDE4DSLC29A1FGFR1LMNA
SCHEMBL13713969 0.80 PDE3A (0.62) PDE3APDE4DSLC29A1FGFR1LMNA
SCHEMBL19932385 0.80 PDE3A (0.62) PDE3APDE4DSLC29A1FGFR1LMNA
SCHEMBL8925507 0.78 FGFR1 (0.55) PDE3APDE4DSLC29A1FGFR1LMNA
SCHEMBL19934359 0.78 FGFR1 (0.36) PDE3APDE4DSLC29A1FGFR1LMNA
SCHEMBL17211614 0.77 PDE3A (0.65) PDE3APDE4DSLC29A1FGFR1LMNA
SCHEMBL30364620 0.76 FGFR1 (0.46) PDE3APDE4DSLC29A1FGFR1LMNA
SCHEMBL30364477 0.76 FGFR1 (0.46) PDE3APDE4DSLC29A1FGFR1LMNA
SCHEMBL6758002 0.75 PDE3A (0.57) PDE3APDE4DSLC29A1FGFR1LMNA

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-2919790-B1 GEMCITABINE PRODRUGS AND USES THEREOF BOYEN THERAPEUTICS INC (TW) 2018-04-04 — — EP disclosed
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