SCHEMBL5498217

SCHEMBL5498217

[NH]c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.67
KDR P35968 13/20 0.57
FGFR1 P11362 6/20 0.52
NTRK1 P04629 5/20 0.52
NTRK2 Q16620 5/20 0.52
CSF1R P07333 3/20 0.52
PDGFRB P09619 3/20 0.52
KIT P10721 3/20 0.52
PDGFRA P16234 3/20 0.52
LCK P06239 3/20 0.52
PLK4 O00444 2/20 0.52
AURKA O14965 2/20 0.52
MAP4K4 O95819 2/20 0.52
PAK4 O96013 2/20 0.52
ABL1 P00519 2/20 0.52
RET P07949 2/20 0.52
MET P08581 2/20 0.52
FLT1 P17948 2/20 0.52
FGFR3 P22607 2/20 0.52
TYK2 P29597 2/20 0.52

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
SCHEMBL5498220 0.83 KDR (0.69) CHEK1KDRFGFR1NTRK1NTRK2
SCHEMBL28884515 0.83 CHEK1 (0.67) CHEK1KDRFGFR1NTRK1NTRK2
SCHEMBL28884514 0.83 CHEK1 (0.67) CHEK1KDRFGFR1NTRK1NTRK2
SCHEMBL14539159 0.83 CHEK1 (0.67) CHEK1KDRFGFR1NTRK1NTRK2
SCHEMBL29531075 0.83 CHEK1 (0.67) CHEK1KDRFGFR1NTRK1NTRK2
SCHEMBL5250216 0.82 CHEK1 (0.64) CHEK1KDRFGFR1NTRK1NTRK2
SCHEMBL30236917 0.82 CHEK1 (0.64) CHEK1KDRFGFR1NTRK1NTRK2
SCHEMBL29683745 0.82 CHEK1 (0.64) CHEK1KDRFGFR1NTRK1NTRK2
SCHEMBL3716235 0.81 CHEK1 (0.64) CHEK1KDRFGFR1NTRK1NTRK2
SCHEMBL3716237 0.81 CHEK1 (0.64) CHEK1KDRFGFR1NTRK1NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745035-A1 POLYMORPHIC AND AMORPHOUS FORMS OF 2,5-DIMETHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID-{2-FLUORO-5-¬3-((E)-2-PYRIDIN-2-YLVINYL)-1H-INDAZOL-6-YLAMINO|-PHENYL}-AMIDE PFIZER INC. (US) 2007-01-24 EP disclosed