SCHEMBL169945

SCHEMBL169945

Nc1ncnn2c(-c3ccccc3)c(C=CC(=O)O)c(-c3ccc(Oc4ccccc4)cc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 12/20 0.44
LCK P06239 3/20 0.41
KDR P35968 3/20 0.41
BLK P51451 3/20 0.41
FLT3 P36888 2/20 0.41
ERBB4 Q15303 2/20 0.41
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
ROCK2 O75116 1/20 0.41
PAK4 O96013 1/20 0.41
CHEK2 O96017 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
INSR P06213 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
LYN P07948 1/20 0.41
IGF1R P08069 1/20 0.41
MET P08581 1/20 0.41

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
SCHEMBL169876 1.00 TNK2 (0.44) TNK2LCKKDRBLKFLT3
SCHEMBL122930 0.91 TNK2 (0.46) TNK2LCKKDRBLKFLT3
SCHEMBL122931 0.91 TNK2 (0.46) TNK2LCKKDRBLKFLT3
SCHEMBL166984 0.85 TNK2 (0.43) TNK2LCKKDRBLKFLT3
SCHEMBL166985 0.85 TNK2 (0.43) TNK2LCKKDRBLKFLT3
SCHEMBL167745 0.85 TNK2 (0.43) TNK2LCKKDRBLKFLT3
SCHEMBL167747 0.85 TNK2 (0.43) TNK2LCKKDRBLKFLT3
SCHEMBL122968 0.83 TNK2 (0.52) TNK2LCKKDRBTKTEK
SCHEMBL122860 0.83 TNK2 (0.52) TNK2LCKKDRBTKTEK
SCHEMBL169875 0.82 TNK2 (0.52) TNK2LCKKDRBTKTEK

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-2424368-A1 PYRROLOTRIAZINE COMPOUNDS Locus Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
WO-2010126960-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed