SCHEMBL17220091

SCHEMBL17220091

Nc1nc(Cl)nc(Nc2ccc(F)c(Cl)c2)n1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.68
MAPK1 P28482 1/20 0.68
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA9 Q16790 1/20 0.64
BRAF P15056 1/20 0.51
STK17A Q9UEE5 2/20 0.47
STK17B O94768 1/20 0.47
TXN P10599 1/20 0.46
SOS1 Q07889 2/20 0.46
TDO2 P48775 2/20 0.45
EGFR P00533 2/20 0.45
RAPGEF4 Q8WZA2 1/20 0.44
HPGD P15428 1/20 0.43
PTGS2 P35354 1/20 0.43
POLA1 P09884 1/20 0.43

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
SCHEMBL1392126 0.89 APP (0.77) APPMAPK1CA12CA1CA2
SCHEMBL17220462 0.82 MAPK1 (0.60) APPMAPK1CA12CA1CA2
SCHEMBL10016362 0.81 MAPK1 (1.00) APPMAPK1CA12CA1CA2
SCHEMBL17220026 0.80 MAPK1 (0.57) APPMAPK1CA12CA1CA2
SCHEMBL17220029 0.80 MAPK1 (0.57) APPMAPK1CA12CA1CA2
SCHEMBL17220028 0.80 MAPK1 (0.57) APPMAPK1CA12CA1CA2
SCHEMBL8525007 0.79 MEN1 (0.53) APPMAPK1BRAFTXN
SCHEMBL8524506 0.78 MAPT (0.57) MAPK1BRAFEGFR
SCHEMBL8524268 0.77 MAPT (0.51) APPMAPK1CA12CA1CA2
SCHEMBL14869790 0.77 POLA1 (0.63) MAPK1CA12CA1CA2CA9

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-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed