SCHEMBL8708642

SCHEMBL8708642

COc1c(NC2CCC(N[C@H]3CC[C@@H](C(C)(C)C)CC3)CC2)ccnc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 1/20 0.42
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRM1 Q13255 2/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
LRRK2 Q5S007 1/20 0.33
MAOA P21397 1/20 0.32
NSD2 O96028 1/20 0.31
ALPL P05186 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 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
SCHEMBL9033873 1.00 FGFR2 (0.42) FGFR2MEN1ALDH1A1LMNAGAA
SCHEMBL8417988 0.96 FGFR2 (0.44) FGFR2MEN1ALDH1A1LMNAGAA
SCHEMBL8417986 0.96 FGFR2 (0.44) FGFR2MEN1ALDH1A1LMNAGAA
SCHEMBL8705285 0.84 NSD2 (0.35) FGFR2MEN1ALDH1A1LMNAGAA
SCHEMBL8705288 0.84 NSD2 (0.35) FGFR2MEN1ALDH1A1LMNAGAA
SCHEMBL8416634 0.84 FGFR2 (0.38) FGFR2MEN1ALDH1A1LMNAGAA
SCHEMBL8417815 0.84 FGFR2 (0.38) FGFR2MEN1ALDH1A1LMNAGAA
SCHEMBL8416632 0.84 FGFR2 (0.38) FGFR2MEN1ALDH1A1LMNAGAA
SCHEMBL8415150 0.83 FGFR2 (0.44) FGFR2MEN1ALDH1A1LMNAGAA
SCHEMBL8415152 0.83 FGFR2 (0.44) FGFR2MEN1ALDH1A1LMNAGAA

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-5723450-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1998-03-03 US disclosed
EP-0719256-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
WO-1995007891-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed