SCHEMBL5777773

SCHEMBL5777773

O=S(=O)(Nc1cccc(Nc2nccc(-c3ccncc3)n2)c1)c1cccc2cnccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.57
BCR P11274 12/20 0.57
SRC P12931 8/20 0.57
PRKCA P17252 11/20 0.53
EGFR P00533 3/20 0.50
PRKACA P17612 2/20 0.50
PRKACG P22612 2/20 0.50
PRKACB P22694 2/20 0.50
PRKCD Q05655 7/20 0.49
SYK P43405 1/20 0.47
PIK3C3 Q8NEB9 1/20 0.46
PDGFRB P09619 3/20 0.45
PDGFRA P16234 3/20 0.45
PRKD3 O94806 3/20 0.45
PRKCG P05129 3/20 0.45
PRKCB P05771 3/20 0.45
PRKCH P24723 3/20 0.45
PRKCI P41743 3/20 0.45
PRKCE Q02156 3/20 0.45
PRKCQ Q04759 3/20 0.45

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
SCHEMBL5774550 0.93 ABL1 (0.60) ABL1BCRSRCPRKCAEGFR
SCHEMBL5741305 0.88 ABL1 (0.51) ABL1BCRSRCPRKCAEGFR
SCHEMBL6667467 0.82 ABL1 (0.60) ABL1BCRSRCPRKCAEGFR
SCHEMBL5773567 0.81 PRKCA (0.64) ABL1BCRPRKCAEGFRPDGFRB
SCHEMBL4903409 0.79 IKBKB (0.61) ABL1BCRSRCPRKCAPRKCD
SCHEMBL17737761 0.76 PRKD3 (0.59) PRKCAPRKACAPRKACGPRKACBPRKCD
SCHEMBL1789 0.74 ABL1 (1.00) ABL1BCRSRCPRKCAEGFR
SCHEMBL4151825 0.74 ABL1 (0.52) ABL1BCRSRCPRKCAKMT2A
SCHEMBL7524252 0.74 CDK1 (0.69) ABL1BCRSRCPRKCASYK
Sulfuric Acid SCHEMBL7469444 0.72 JAK2 (0.60) ABL1BCRSRCPRKCAEGFR

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