SCHEMBL4293313

SCHEMBL4293313

O=S(=O)(Oc1cnc2ncccc2c1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
SLC40A1 Q9NP59 11/20 0.43
ACP1 P24666 1/20 0.40
PIK3CA P42336 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35

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
SCHEMBL2708721 0.79 ALPL (0.49) CA1CA2DRD2DRD3
SCHEMBL2707194 0.78 PDE4A (0.39) PDE4APDE4CPDE4DSLC40A1PIK3CA
SCHEMBL2030084 0.78 ALDH1A1 (0.49) PDE4APDE4CPDE4DSLC40A1CA1
SCHEMBL169540 0.76 PDE4A (0.48) PDE4APDE4CPDE4DSLC40A1CA1
SCHEMBL38652754 0.76 ACP1 (0.39) ACP1
SCHEMBL8404767 0.75 PDE4A (0.48) PDE4APDE4CPDE4DSLC40A1METAP2
SCHEMBL30344840 0.75 CYP3A4 (0.52) PDE4APDE4CPDE4DCA1CA2
SCHEMBL1543342 0.75 CYP3A4 (0.52) PDE4APDE4CPDE4DCA1CA2
SCHEMBL14686182 0.74 ACP1 (0.43) ACP1FEN1METAP2METAP1
SCHEMBL18796126 0.73 RIPK1 (0.47) FEN1

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
WO-2009155121-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-12-23 WO disclosed