SCHEMBL3931682

SCHEMBL3931682

Cc1cc2c(cn1)ncn2-c1cc(O[C@H](C)c2ccccc2C(F)(F)F)c(C(N)=O)s1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.77
PLK3 Q9H4B4 11/20 0.77
CYP3A4 P08684 1/20 0.68
CYP2C9 P11712 1/20 0.68
PIK3CD O00329 1/20 0.67
PIK3C2B O00750 1/20 0.67
RIOK3 O14730 1/20 0.67
DAPK3 O43293 1/20 0.67
PIP5K1C O60331 1/20 0.67
RPS6KA4 O75676 1/20 0.67
STK10 O94804 1/20 0.67
PRKD3 O94806 1/20 0.67
PDGFRB P09619 1/20 0.67
KIT P10721 1/20 0.67
PIM1 P11309 1/20 0.67
CSNK2A2 P19784 1/20 0.67
GRK4 P32298 1/20 0.67
TIE1 P35590 1/20 0.67
FLT3 P36888 1/20 0.67
PRKCI P41743 1/20 0.67

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
SCHEMBL3931897 0.90 PLK1 (0.63) PLK1PLK3CYP2C9
SCHEMBL3741480 0.90 PLK1 (0.74) PLK1PLK3CYP3A4CYP2C9PIK3CD
SCHEMBL3737290 0.90 PLK1 (0.74) PLK1PLK3CYP3A4CYP2C9PIK3CD
SCHEMBL3737966 0.90 PLK1 (0.74) PLK1PLK3CYP3A4CYP2C9PIK3CD
SCHEMBL3732503 0.89 PLK1 (0.80) PLK1PLK3CYP3A4CYP2C9
SCHEMBL4405223 0.88 PLK1 (0.83) PLK1PLK3CYP3A4CYP2C9PIK3CD
SCHEMBL4035216 0.88 PLK1 (0.83) PLK1PLK3CYP3A4CYP2C9PDGFRB
SCHEMBL13206495 0.88 PLK1 (0.83) PLK1PLK3CYP3A4CYP2C9PDGFRB
SCHEMBL3737776 0.87 PLK1 (0.70) PLK1PLK3CYP3A4CYP2C9PIK3CD
SCHEMBL3740830 0.87 PLK1 (0.80) PLK1PLK3CYP3A4CYP2C9PIK3CD

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-2009003911-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2009-01-08 WO disclosed