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Cyclohexane

Cyclohexane

SCHEMBL5776157

C1CCCCC1.Cc1ccc(NC(=O)O)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.81

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 16/20 0.81
▸ BCR P11274 14/20 0.81
▸ PDGFRA P16234 8/20 0.81
▸ PDGFRB P09619 5/20 0.81
▸ EGFR P00533 2/20 0.79
▸ PRKCA P17252 2/20 0.79
▸ JAK3 P52333 1/20 0.75
▸ BTK Q06187 1/20 0.75
▸ ITK Q08881 1/20 0.75
▸ KIT P10721 3/20 0.68

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
SCHEMBL23246300 0.97 ABL1 (0.86) ABL1BCRPDGFRAPDGFRBEGFR
SCHEMBL19556857 0.90 ABL1 (1.00) ABL1BCRPDGFRAPDGFRBEGFR
SCHEMBL9782 0.88 PDGFRA (1.00) ABL1BCRPDGFRAPDGFRBEGFR
SCHEMBL29498750 0.88 PDGFRA (1.00) ABL1BCRPDGFRAPDGFRBEGFR
Methane SCHEMBL5972158 0.87 PDGFRA (0.98) ABL1BCRPDGFRAPDGFRBEGFR
SCHEMBL13497838 0.87 ABL1 (0.80) ABL1BCRPDGFRAPDGFRBEGFR
SCHEMBL19556647 0.87 ABL1 (0.80) ABL1BCRPDGFRAPDGFRBEGFR
SCHEMBL2004455 0.87 PDGFRA (0.91) ABL1BCRPDGFRAPDGFRBEGFR
SCHEMBL29366684 0.87 ABL1 (0.83) ABL1BCRPDGFRAPDGFRBEGFR
SCHEMBL4897200 0.87 PDGFRA (0.88) ABL1BCRPDGFRAPDGFRBEGFR

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