SCHEMBL9388115

SCHEMBL9388115

Fc1cccc2c(NCCc3ccc(OCC(F)(F)F)nc3)ncnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 11/20 0.42
▸ RPS6KB1 P23443 10/20 0.42
▸ AURKB Q96GD4 2/20 0.39
▸ HTT P42858 4/20 0.39
▸ APP P05067 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NTRK1 P04629 2/20 0.37
▸ SLC29A1 Q99808 1/20 0.36
▸ PDPK1 O15530 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NR2F2 P24468 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL9382403 0.86 AURKA (0.51) AURKARPS6KB1AURKBHTTAPP
SCHEMBL9303626 0.81 PLAAT3 (0.48) AURKARPS6KB1AURKBHTTAPP
SCHEMBL9388070 0.81 L3MBTL1 (0.36) AURKARPS6KB1AURKBMAPK1LMNA
SCHEMBL12788978 0.78 L3MBTL1 (0.36) AURKAAURKBHTTMAPK1LMNA
SCHEMBL8546216 0.77 AURKA (0.55) AURKARPS6KB1AURKBHTTAPP
SCHEMBL13456925 0.77 AURKA (0.48) AURKARPS6KB1HTTAPPMAPK1
SCHEMBL8546280 0.76 GALR3 (0.51) AURKARPS6KB1HTTAPPMAPK1
SCHEMBL8543977 0.76 HTT (0.64) AURKARPS6KB1HTTAPPMAPK1
SCHEMBL2180011 0.76 LMNA (0.36) AURKAAURKBHTTMAPK1LMNA
SCHEMBL8546996 0.76 AURKA (0.48) AURKARPS6KB1AURKBHTTAPP

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
WO-1994004527-A1 PYRIDYLETHOXY-, PYRIDYLETHYLAMINO-, AND PYRIDYLPROPYL-DERIVATIVES OF QUINOLINE AND QUINAZOLINE AS INSECTICIDES AND FUNGICIDES DOWELANCO (US) 1994-03-03 — — WO claimed
WO-1994004527-A1 PYRIDYLETHOXY-, PYRIDYLETHYLAMINO-, AND PYRIDYLPROPYL-DERIVATIVES OF QUINOLINE AND QUINAZOLINE AS INSECTICIDES AND FUNGICIDES DOWELANCO (US) 1994-03-03 — — WO disclosed
WO-1994004527-A1 PYRIDYLETHOXY-, PYRIDYLETHYLAMINO-, AND PYRIDYLPROPYL-DERIVATIVES OF QUINOLINE AND QUINAZOLINE AS INSECTICIDES AND FUNGICIDES DOWELANCO (US) 1994-03-03 — — WO disclosed
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