SCHEMBL20008817

SCHEMBL20008817

C=CCCN(CC)c1cc(-c2cc(-c3cccc(C(F)(F)F)c3)cnc2C)cnc1CC1CCC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.35
BRAF P15056 4/20 0.35
GRIN2B Q13224 14/20 0.33
GRIN1 Q05586 9/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL20009328 0.78
SCHEMBL20008331 0.74 RAF1 (0.43) RAF1BRAFGRIN2BGRIN1
SCHEMBL20008281 0.64 GRIN2B (0.52) GRIN2BGRIN1ALDH1A1L3MBTL1
SCHEMBL20010072 0.64 RAF1 (0.48) RAF1BRAF
SCHEMBL20008381 0.63 RAF1 (0.45) RAF1BRAFGRIN2BGRIN1
SCHEMBL23654808 0.61 RAF1 (0.41) RAF1BRAFGRIN2BGRIN1
SCHEMBL20049822 0.61 ALDH1A1 (0.51) GRIN2BGRIN1ALDH1A1L3MBTL1
SCHEMBL20008148 0.60 CRHR1 (0.32)
SCHEMBL20008353 0.59 CRHR1 (0.32)
SCHEMBL20171236 0.59 ALDH1A1 (0.50) GRIN2BGRIN1ALDH1A1L3MBTL1

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed