SCHEMBL14568675

SCHEMBL14568675

C=C(OC)c1sc(-n2cnc3ccc(CN4CCN(C)CC4)cc32)cc1O[C@H](C)c1ccccc1C(F)(F)F

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.81
PLK3 Q9H4B4 11/20 0.81
NEK2 P51955 3/20 0.81
PIK3CD O00329 2/20 0.81
PDGFRB P09619 2/20 0.81
PIM1 P11309 2/20 0.81
PIK3CG P48736 2/20 0.81
PIK3C2B O00750 1/20 0.81
RIOK3 O14730 1/20 0.81
DAPK3 O43293 1/20 0.81
PIP5K1C O60331 1/20 0.81
RPS6KA4 O75676 1/20 0.81
STK10 O94804 1/20 0.81
PRKD3 O94806 1/20 0.81
KIT P10721 1/20 0.81
CSNK2A2 P19784 1/20 0.81
GRK4 P32298 1/20 0.81
TIE1 P35590 1/20 0.81
FLT3 P36888 1/20 0.81
PRKCI P41743 1/20 0.81

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
SCHEMBL2973537 0.92 PLK1 (0.86) PLK1PLK3NEK2PIK3CDPDGFRB
SCHEMBL4562944 0.92 PLK1 (0.86) PLK1PLK3NEK2PIK3CDPDGFRB
Hydrochloric Acid SCHEMBL3111856 0.91 PLK1 (0.85) PLK1PLK3NEK2PIK3CDPDGFRB
Hydrochloric Acid SCHEMBL3107975 0.91 PLK1 (0.85) PLK1PLK3NEK2PIK3CDPDGFRB
SCHEMBL2973906 0.90 PLK1 (0.88) PLK1PLK3NEK2PIK3CDPDGFRB
Gsk-461364 SCHEMBL29360650 0.90 PLK1 (1.00) PLK1PLK3NEK2PIK3CDPDGFRB
Gsk-461364 SCHEMBL310080 0.90 PLK1 (1.00) PLK1PLK3NEK2PIK3CDPDGFRB
Gsk-461364 SCHEMBL4276841 0.90 PLK1 (1.00) PLK1PLK3NEK2PIK3CDPDGFRB
Gsk-461364 SCHEMBL29655945 0.90 PLK1 (1.00) PLK1PLK3NEK2PIK3CDPDGFRB
SCHEMBL19196385 0.85 PLK1 (0.91) PLK1PLK3NEK2PIK3CDPDGFRB

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-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO disclosed