SCHEMBL20009429

SCHEMBL20009429

C=Cc1cc(-c2cc(NC(=O)C(/C=C(\N)CCC)=C/N)ccc2C)cc(N2CCCCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAF1 P04049 13/20 0.39
BRAF P15056 9/20 0.39
MAPK14 Q16539 6/20 0.37
HSPB1 P04792 1/20 0.37
LYN P07948 1/20 0.37

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
SCHEMBL20008518 0.80 RAF1 (0.51) RAF1BRAF
SCHEMBL20008534 0.67 BRAF (0.47) RAF1BRAF
SCHEMBL20010381 0.67 RAF1 (0.46) RAF1BRAF
SCHEMBL20008465 0.66 RAF1 (0.42) RAF1BRAF
SCHEMBL26206708 0.65 RAF1 (0.53) RAF1BRAF
SCHEMBL20009117 0.63 RAF1 (0.40) KDM4EALDH1A1GAAMAPTRAF1
SCHEMBL23299960 0.62 RAF1 (0.61) RAF1BRAF
SCHEMBL23299901 0.61 RAF1 (0.65) RAF1BRAF
SCHEMBL23875872 0.61 RAF1 (0.56) RAF1BRAF
SCHEMBL24312172 0.60 RAF1 (0.51) RAF1BRAF

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