SCHEMBL20008387

SCHEMBL20008387

C/C(=C\C(=N)c1cc(NC(=O)c2ccnc(C3CCC3)c2)ccc1C)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 16/20 0.45
BRAF P15056 14/20 0.45
MAPK14 Q16539 3/20 0.41
HSPB1 P04792 1/20 0.41
LYN P07948 1/20 0.41
FASN P49327 1/20 0.39
PROKR1 Q8TCW9 1/20 0.38

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
SCHEMBL20008594 0.97 RAF1 (0.47) RAF1BRAFMAPK14HSPB1LYN
SCHEMBL25996617 0.75 GSK3B (0.48) RAF1BRAF
SCHEMBL20008415 0.75 LMNA (0.49) RAF1BRAF
SCHEMBL20008376 0.73 RAF1 (0.42) RAF1BRAF
SCHEMBL20008272 0.68 TP53 (0.40)
SCHEMBL25996593 0.67 RAF1 (0.42) RAF1BRAF
SCHEMBL25983655 0.67 RAF1 (0.57) RAF1BRAFMAPK14
SCHEMBL20415101 0.65 PROKR1 (0.38) PROKR1
SCHEMBL20009408 0.64 BRAF (0.45) RAF1BRAF
SCHEMBL25702315 0.64 RAF1 (0.57) RAF1BRAFMAPK14

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