SCHEMBL20008131

SCHEMBL20008131

C=CCC1CC(CC)N1c1cc(-c2cc(N)cnc2C)cnc1C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.33
ABL1 P00519 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL16094074 0.64 RAF1 (0.56) RAF1
SCHEMBL14107706 0.62 FEN1 (0.45) RAF1ABL1IRAK4
SCHEMBL20008461 0.62 PBRM1 (0.35) RAF1ABL1
SCHEMBL16095004 0.61 RAF1 (0.56) RAF1
SCHEMBL25699202 0.61 RAF1 (0.39) RAF1ABL1IRAK4
SCHEMBL16094439 0.61 RAF1 (0.57) RAF1
SCHEMBL20008598 0.60 ABL1 (0.33) ABL1
SCHEMBL16095043 0.60 RAF1 (0.58) RAF1
SCHEMBL16094697 0.60 RAF1 (0.58) RAF1
SCHEMBL16094510 0.60 RAF1 (0.56) RAF1

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