SCHEMBL4563271

SCHEMBL4563271

Cc1cc(-c2ccc3c(c2)ncn3-c2cc(OC(C)c3ccccc3C(F)(F)F)c(C(N)=O)s2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 20/20 1.00
CYP3A4 P08684 5/20 0.86
CYP2C9 P11712 4/20 0.86
PLK3 Q9H4B4 9/20 0.86

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
SCHEMBL4563270 1.00 PLK1 (1.00) PLK1CYP3A4CYP2C9PLK3
SCHEMBL4726481 0.93 PLK1 (0.86) PLK1CYP3A4CYP2C9PLK3
SCHEMBL13450938 0.93 PLK1 (1.00) PLK1CYP3A4CYP2C9PLK3
SCHEMBL3156658 0.93 PLK1 (0.86) PLK1CYP3A4CYP2C9PLK3
SCHEMBL3150935 0.93 PLK1 (1.00) PLK1CYP3A4CYP2C9PLK3
SCHEMBL4404515 0.92 PLK1 (1.00) PLK1CYP3A4CYP2C9PLK3
SCHEMBL4397601 0.92 PLK1 (1.00) PLK1CYP3A4CYP2C9PLK3
SCHEMBL4551403 0.91 PLK1 (0.83) PLK1CYP3A4CYP2C9PLK3
SCHEMBL4402886 0.91 PLK1 (0.83) PLK1CYP3A4CYP2C9PLK3
SCHEMBL4551402 0.91 PLK1 (0.83) PLK1CYP3A4CYP2C9PLK3

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-1924572-B1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORP (US) 2009-12-30 EP disclosed