SCHEMBL5545656

SCHEMBL5545656

COc1cc(-c2cccc(Cl)c2)c2cc(C(O)c3ccc(Cl)s3)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
NR1I3 Q14994 1/20 0.36
CTSA P10619 2/20 0.33
MAT2A P31153 1/20 0.33
TACR3 P29371 1/20 0.33
CNR2 P34972 1/20 0.33
RORC P51449 3/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
RORB Q92753 1/20 0.32
F2RL3 Q96RI0 1/20 0.32
KMT2A Q03164 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
GUSB P08236 1/20 0.32

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
SCHEMBL6010423 0.80 LTB4R (0.38) LTB4RAURKAAURKBNR1I3MAT2A
SCHEMBL6009561 0.79 FNTA (0.49) FNTAFNTB
SCHEMBL5549184 0.77 LTB4R (0.42) LTB4RAURKAAURKBNR1I3RORC
SCHEMBL5657044 0.75 AURKA (0.35) LTB4RAURKAAURKBNR1I3CNR2
SCHEMBL1757872 0.74 MEN1 (0.49) LTB4RAURKAAURKBNR1I3MAT2A
SCHEMBL6170916 0.73 FNTA (0.55) KMT2AFNTAFNTB
SCHEMBL13333684 0.72 LTB4R (0.37) LTB4RAURKAAURKBNR1I3CTSA
SCHEMBL5545677 0.71 LTB4R (0.44) LTB4RAURKAAURKBNR1I3MAT2A
SCHEMBL5656596 0.71 LTB4R (0.46) LTB4RAURKAAURKBNR1I3MAT2A
SCHEMBL25652640 0.70 PTGS2 (0.35) LTB4RAURKAAURKBRORC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196094-B2 Farnesyl transferase inhibiting 6-heterocyclylmethyl quinoline and quinazoline derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-27 US disclosed
EP-1322650-A2 FARNESYL TRANSFERASE INHIBITING 6-HETEROCYCLYLMETHYL QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-07-02 EP disclosed
WO-2002024686-A2 FARNESYL TRANSFERASE INHIBITING 6-HETEROCYCLYLMETHYL QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-28 WO disclosed