SCHEMBL20009120

SCHEMBL20009120

CCCCN(CC)c1cc(-c2cc(NC)ccc2C)cnc1OC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.39
SCN9A Q15858 4/20 0.35
SCN5A Q14524 1/20 0.35
BRD4 O60885 1/20 0.33
HDAC3 O15379 1/20 0.33
CDK9 P50750 1/20 0.33
HDAC1 Q13547 1/20 0.33
RAF1 P04049 8/20 0.33
BRAF P15056 8/20 0.33
DDX3X O00571 1/20 0.32
ABL1 P00519 1/20 0.32
CNR1 P21554 1/20 0.31
MAPK14 Q16539 2/20 0.31
LCK P06239 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL23654079 0.68 IDO1 (0.33) BRAF
SCHEMBL20008327 0.67 RAF1 (0.59) RAF1BRAF
SCHEMBL20009436 0.65 MAPK14 (0.41) RAF1ABL1MAPK14
SCHEMBL20008141 0.64 BRAF (0.31) BRAF
SCHEMBL20008778 0.63 RAF1 (0.37) RAF1BRAFMAPK14
SCHEMBL20008772 0.63 BRAF (0.31) BRAF
SCHEMBL23654969 0.62 BRAF (0.33) BRAFABL1MAPK14LCKKDR
SCHEMBL20009415 0.62 RAF1 (0.37) RAF1BRAFMAPK14
SCHEMBL20010055 0.61 CRHR1 (0.32)
SCHEMBL20008143 0.61 BRAF (0.38) BRAFABL1MAPK14LCKKDR

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