SCHEMBL2186457

SCHEMBL2186457

FC(F)c1cc(Nc2nc(Cl)nc3cccn23)n[nH]1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.32
PAK4 O96013 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GLA P06280 2/20 0.32
POLB P06746 2/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
IGF1R P08069 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL1268774 0.83 PAK4 (0.48) PLK4PAK4MEN1KMT2AHSD17B10
SCHEMBL2169069 0.79 GRK6 (0.39) PLK4PAK4IGF1R
SCHEMBL1269791 0.79 IGF1R (0.39) PLK4PAK4IGF1R
SCHEMBL2148630 0.79 AURKA (0.32)
SCHEMBL1270410 0.78 HCAR2 (0.42) PLK4PAK4KDM4ENPC1MAPT
SCHEMBL1268810 0.78 IGF1R (0.44) PAK4IGF1R
SCHEMBL1270530 0.77 IGF1R (0.35) PLK4PAK4IGF1R
SCHEMBL3932730 0.76 HCAR2 (0.31) PLK4PAK4KDM4EALDH1A1
SCHEMBL1269811 0.76 LCK (0.42) PAK4IGF1R
SCHEMBL1269825 0.76 PLK4 (0.31) PLK4PAK4

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-2011088045-A1 AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE AMBIT BIOSCIENCES CORPORATION (US) 2011-07-21 WO disclosed