SCHEMBL12857724

SCHEMBL12857724

O=CNc1cccc(-c2cncc(Nc3ccc4c(c3)OCO4)n2)c1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.72
PTGS2 P35354 2/20 0.44
CNR1 P21554 1/20 0.43

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
SCHEMBL1122160 0.84 BRAF (1.00) BRAF
SCHEMBL1122264 0.78 BRAF (1.00) BRAF
SCHEMBL1122497 0.76 BRAF (1.00) BRAF
SCHEMBL182882 0.74 SMN1; SMN2 (0.58)
SCHEMBL16739611 0.69 BRAF (0.53) BRAF
SCHEMBL1122168 0.68 BRAF (1.00) BRAF
SCHEMBL1122307 0.68 BRAF (1.00) BRAF
SCHEMBL4848378 0.68 TRPV1 (0.67) BRAF
SCHEMBL4996034 0.67 KDR (0.74) BRAF
SCHEMBL4993806 0.66 BRAF (0.72) BRAF

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-1831184-B1 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS WELLCOME TRUST LTD (GB) 2011-02-09 EP disclosed