SCHEMBL31872

SCHEMBL31872

Cc1ccsc1C(=O)Nc1cc(CN2CCNCC2)ccc1/C=C/c1n[nH]c2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.73
AURKB Q96GD4 6/20 0.73
FGFR1 P11362 3/20 0.41
FLT1 P17948 2/20 0.41
MAP4K4 O95819 2/20 0.41
NTRK1 P04629 2/20 0.41
FLT3 P36888 2/20 0.41
CHEK1 O14757 2/20 0.41
BMPR1B O00238 1/20 0.41
PLK4 O00444 1/20 0.41
STK25 O00506 1/20 0.41
CIT O14578 1/20 0.41
RIOK3 O14730 1/20 0.41
IKBKB O14920 1/20 0.41
GAK O14976 1/20 0.41
DCLK1 O15075 1/20 0.41
CHUK O15111 1/20 0.41
MUSK O15146 1/20 0.41
EPHB6 O15197 1/20 0.41
PDPK1 O15530 1/20 0.41

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
SCHEMBL4313197 0.94 AURKA (0.74) AURKAAURKBFGFR1FLT1MAP4K4
SCHEMBL4313205 0.94 AURKA (0.74) AURKAAURKBFGFR1FLT1MAP4K4
SCHEMBL4320834 0.92 AURKA (0.73) AURKAAURKBFGFR1FLT1MAP4K4
SCHEMBL4320842 0.92 AURKA (0.73) AURKAAURKBFGFR1FLT1MAP4K4
SCHEMBL14989031 0.92 AURKB (0.72) AURKAAURKBMAP4K4NTRK1FLT3
SCHEMBL4326126 0.92 AURKA (0.74) AURKAAURKBFGFR1FLT1MAP4K4
SCHEMBL4317456 0.92 AURKA (0.76) AURKAAURKBFGFR1FLT1MAP4K4
SCHEMBL4326122 0.92 AURKA (0.74) AURKAAURKBFGFR1FLT1MAP4K4
SCHEMBL14989033 0.92 AURKB (0.72) AURKAAURKBMAP4K4NTRK1FLT3
SCHEMBL4317450 0.92 AURKA (0.76) AURKAAURKBFGFR1FLT1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101111483-B IGF-1R inhibitors KYOWA HAKKO KIRIN CO.,LTD. (JP) 2011-12-14 CN claimed
WO-2012026511-A1 PHARMACEUTICAL COMPOSITION 協和発酵キリン株式会社 (JP) 2012-03-01 WO disclosed