SCHEMBL17425949

SCHEMBL17425949

Cn1cc(-c2cc(O)c(N=O)c(NCc3ccc4ncccc4c3)n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 17/20 0.48
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
ERBB4 Q15303 1/20 0.41
DYRK1A Q13627 2/20 0.41
NQO2 P16083 2/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
PIP4K2C Q8TBX8 2/20 0.41
WNT1 P04628 1/20 0.41
ABL1 P00519 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
MAP3K19 Q56UN5 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40

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
SCHEMBL2177427 0.86 MET (0.50) METEGFRERBB2ERBB4DYRK1A
SCHEMBL2361649 0.84 MET (0.48) METEGFRERBB2ERBB4DYRK1A
SCHEMBL22475893 0.82 MET (0.49) METEGFRERBB2ERBB4DYRK1A
SCHEMBL18418037 0.82 MET (0.48) METEGFRERBB2ERBB4DYRK1A
SCHEMBL2176891 0.79 MET (0.47) METDYRK1ANQO2PDE3BPDE3A
SCHEMBL29773408 0.78 MET (0.48) METEGFRERBB2ERBB4DYRK1A
SCHEMBL2174986 0.78 MET (0.48) METEGFRERBB2ERBB4DYRK1A
SCHEMBL2175368 0.76 MET (0.45) METEGFRERBB2ERBB4DYRK1A
SCHEMBL29773380 0.75 MET (0.43) METDYRK1AWNT1
SCHEMBL12693353 0.75 MET (0.43) METDYRK1AWNT1

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-2966075-A1 CERTAIN TRIAZOLOPYRIDINES, COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CANCER. Hutchison Medipharma Limited (CN) 2016-01-13 EP disclosed