SCHEMBL5777331

SCHEMBL5777331

O=S(=O)(Cc1ccc(Cl)cc1)Nc1cccc(Nc2nccc(-c3ccccn3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.53
BCR P11274 3/20 0.53
PRKCA P17252 2/20 0.53
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RAF1 P04049 2/20 0.48
BRAF P15056 2/20 0.48
SYK P43405 11/20 0.48
KDR P35968 1/20 0.47
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
PRKCD Q05655 1/20 0.45
PLK1 P53350 1/20 0.45
SRC P12931 1/20 0.44

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
SCHEMBL4905681 0.85 ABL1 (0.57) ABL1BCRPRKCAALDH1A1SYK
SCHEMBL5734023 0.79 ABL1 (0.64) ABL1BCRPRKCASYKPRKCD
SCHEMBL5776913 0.77 PDGFRA (0.47) ABL1BCRPRKCASYKKDR
SCHEMBL4901723 0.77 ABL1 (0.64) ABL1BCRPRKCAPRKCDSRC
SCHEMBL4901606 0.75 IKBKB (0.57) ABL1BCRPRKCAALDH1A1SYK
SCHEMBL4905854 0.75 ABL1 (0.57) ABL1BCRPRKCAALDH1A1SYK
SCHEMBL4902412 0.75 ABL1 (0.57) ABL1BCRPRKCAALDH1A1SYK
SCHEMBL5740498 0.75 ABL1 (0.57) ABL1BCRPRKCASYK
SCHEMBL6041185 0.74 CYP19A1 (0.58) ABL1BCRPRKCAALDH1A1SYK
SCHEMBL4900774 0.74 ABL1 (0.59) ABL1BCRPRKCASYKPRKCD

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-1395261-B1 PYRIDYLPYRIMIDINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST PRION DISEASES GPC BIOTECH AG (DE) 2006-06-28 EP claimed