Cyclohexane

Cyclohexane

SCHEMBL5776808

C1CCCCC1.O=C(O)Nc1cccc(Nc2nccc(-c3ccncc3)n2)c1

nearest known ligand 0.63

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.63
BCR P11274 12/20 0.63
SRC P12931 8/20 0.63
PRKCA P17252 5/20 0.63
PRKCD Q05655 3/20 0.63
PDGFRB P09619 6/20 0.61
PDGFRA P16234 6/20 0.61
PRKD3 O94806 1/20 0.60
PRKCG P05129 1/20 0.60
PRKCB P05771 1/20 0.60
PRKCH P24723 1/20 0.60
PRKCI P41743 1/20 0.60
PRKCE Q02156 1/20 0.60
PRKCQ Q04759 1/20 0.60
PRKCZ Q05513 1/20 0.60
PRKD1 Q15139 1/20 0.60
JAK2 O60674 2/20 0.57
MAPK8 P45983 2/20 0.56
PIK3CG P48736 2/20 0.56
GSK3B P49841 2/20 0.56

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
Cyclohexane SCHEMBL5776701 0.90 ABL1 (0.76) ABL1BCRSRCPRKCAPRKCD
SCHEMBL7475764 0.86 JAK2 (0.71) ABL1BCRSRCPRKCAPRKCD
SCHEMBL3123409 0.85 ABL1 (0.82) ABL1BCRSRCPRKCAPRKCD
SCHEMBL4895446 0.84 ABL1 (0.63) ABL1BCRSRCPRKCAPRKCD
SCHEMBL4905181 0.82 ABL1 (0.83) ABL1BCRSRCPRKCAPRKCD
SCHEMBL4902223 0.82 ABL1 (0.80) ABL1BCRSRCPRKCAPRKCD
SCHEMBL9519 0.80 ABL1 (0.74) ABL1BCRSRCPRKCAPRKCD
SCHEMBL7467324 0.79 ABL1 (0.76) ABL1BCRSRCPRKCAPRKCD
SCHEMBL4903516 0.79 MAPK8 (0.68) ABL1BCRSRCPRKCAPRKCD
SCHEMBL4029958 0.78 ABL1 (0.72) ABL1BCRSRCPRKCAPRKCD

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