Cyclohexane

Cyclohexane

SCHEMBL5776701

C1CCCCC1.O=C(O)Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 0.76
BCR P11274 17/20 0.76
SRC P12931 10/20 0.76
PDGFRB P09619 9/20 0.76
PDGFRA P16234 9/20 0.76
PRKCA P17252 9/20 0.74
PRKCD Q05655 6/20 0.74
PRKD3 O94806 1/20 0.74
PRKCG P05129 1/20 0.74
PRKCB P05771 1/20 0.74
PRKCH P24723 1/20 0.74
PRKCI P41743 1/20 0.74
PRKCE Q02156 1/20 0.74
PRKCQ Q04759 1/20 0.74
PRKCZ Q05513 1/20 0.74
PRKD1 Q15139 1/20 0.74
ABL2 P42684 1/20 0.67
EGFR P00533 3/20 0.65
PRKACA P17612 1/20 0.64
PRKACG P22612 1/20 0.64

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 SCHEMBL5776808 0.90 ABL1 (0.63) ABL1BCRSRCPDGFRBPDGFRA
Cyclohexane SCHEMBL5776157 0.86 ABL1 (0.81) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL1365 0.86 ABL1 (1.00) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL7468958 0.86 ABL1 (0.76) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL9197 0.85 ABL1 (1.00) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL1522 0.84 ABL1 (1.00) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL4901346 0.84 ABL1 (0.74) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL1430 0.83 ABL1 (1.00) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL9838 0.83 ABL1 (1.00) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL9763 0.83 ABL1 (1.00) ABL1BCRSRCPDGFRBPDGFRA

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