SCHEMBL4402863

SCHEMBL4402863

NC(=O)c1sc(-n2cnc3cc(-c4ccnc(F)c4)ccc32)cc1OCCc1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 20/20 0.61
CYP2C9 P11712 5/20 0.58
PLK3 Q9H4B4 4/20 0.58
CYP3A4 P08684 7/20 0.55
MAP4K4 O95819 1/20 0.51
CSF1R P07333 1/20 0.51
PIM1 P11309 1/20 0.51
KDR P35968 1/20 0.51
NEK2 P51955 1/20 0.51
LIMK1 P53667 1/20 0.51
STK3 Q13188 1/20 0.51
CAMK2B Q13554 1/20 0.51
CAMK2G Q13555 1/20 0.51
CAMK2D Q13557 1/20 0.51
DYRK1A Q13627 1/20 0.51
CAMK1 Q14012 1/20 0.51
PKN2 Q16513 1/20 0.51
HIPK4 Q8NE63 1/20 0.51
BRSK1 Q8TDC3 1/20 0.51
AURKB Q96GD4 1/20 0.51

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
SCHEMBL6214929 0.86 PLK1 (0.68) PLK1CYP2C9PLK3MAP4K4CSF1R
SCHEMBL3569955 0.83 PLK1 (0.84) PLK1CYP2C9PLK3CYP3A4
SCHEMBL6214432 0.82 PLK1 (0.84) PLK1PLK3MAP4K4CSF1RKDR
SCHEMBL5002950 0.80 PLK1 (0.61) PLK1CYP2C9PLK3CYP3A4MAP4K4
SCHEMBL4404992 0.77 PLK1 (0.78) PLK1CYP2C9PLK3CYP3A4CSF1R
SCHEMBL5008546 0.76 PLK1 (0.63) PLK1CYP2C9PLK3CYP3A4
SCHEMBL3156658 0.75 PLK1 (0.86) PLK1CYP2C9PLK3CYP3A4
SCHEMBL4726481 0.75 PLK1 (0.86) PLK1CYP2C9PLK3CYP3A4
SCHEMBL4413428 0.75 PLK1 (0.87) PLK1CYP2C9PLK3CYP3A4
SCHEMBL3151246 0.74 PLK1 (0.80) PLK1CYP2C9PLK3CYP3A4

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