SCHEMBL8840434

SCHEMBL8840434

COCc1nccc(N(C2CCCCC2)C2CCCCC2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
AOC3 Q16853 1/20 0.35
TRPM8 Q7Z2W7 3/20 0.33
CHEK1 O14757 1/20 0.33
NTRK1 P04629 1/20 0.33
FYN P06241 1/20 0.33
RET P07949 1/20 0.33
MET P08581 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
LTK P29376 1/20 0.33
MAP2K2 P36507 1/20 0.33
FLT3 P36888 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
CDK8 P49336 1/20 0.33

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
SCHEMBL8840562 0.83 CCKBR (0.35) JAK3JAK2JAK1ALDH1A1MEN1
SCHEMBL8840572 0.81 JAK2 (0.31) JAK3JAK2JAK1
SCHEMBL8840468 0.72 JAK2 (0.33) JAK3JAK2JAK1TRPM8MEN1
SCHEMBL8840512 0.70 KCNA3 (0.38) JAK3JAK2JAK1TRPM8ALDH1A1
SCHEMBL8840524 0.69 KMT5B (0.40) AOC3PDGFRBPDGFRAFLT3ALDH1A1
SCHEMBL8840393 0.69 SMN1; SMN2 (0.33) DYRK1AALDH1A1NPSR1KDM4ENPC1
SCHEMBL9034137 0.69 JAK2 (0.39) JAK3JAK2JAK1AOC3TRPM8
Hydrochloric Acid SCHEMBL8840537 0.68 JAK2 (0.31) JAK3JAK2JAK1TRPM8
SCHEMBL8840389 0.68 ACACB (0.38)
Hydrochloric Acid SCHEMBL8708616 0.68 MAOA (0.40) JAK3JAK2JAK1AOC3TRPM8

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-5650417-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1997-07-22 US disclosed
EP-0719255-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-1995007890-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed