SCHEMBL2856280

SCHEMBL2856280

CCCc1c(C(=O)Nc2cccc3cccnc23)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.55
KDR P35968 4/20 0.54
GAA P10253 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 4/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 3/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PLEC Q15149 1/20 0.48

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
SCHEMBL2857605 0.91 ALDH1A1 (0.61) MAPK14KDRGAAALDH1A1POLB
SCHEMBL2854503 0.84 KDR (0.47) MAPK14KDRGAAL3MBTL1ALDH1A1
SCHEMBL2854295 0.82 MAPK14 (0.68) MAPK14GAAALDH1A1POLBMAPT
SCHEMBL2852805 0.81 KDR (0.56) KDRGAAL3MBTL1ALDH1A1MAPT
SCHEMBL2850360 0.78 MAPT (0.61) MAPK14GAAALDH1A1POLBMAPT
SCHEMBL14097125 0.77 ALDH1A1 (0.67) MAPK14GAAALDH1A1POLBMAPT
SCHEMBL6338131 0.76 MAPK14 (0.49) MAPK14GAAALDH1A1POLBMAPT
SCHEMBL2853250 0.76 RAB9A (0.67) KDRALDH1A1MAPTMEN1KMT2A
SCHEMBL2850383 0.76 KMT2A (0.47) MAPK14KDRALDH1A1POLBMAPT
SCHEMBL16615637 0.75 POLB (0.52) MAPK14GAAALDH1A1POLBMAPT

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed