SCHEMBL20008784

SCHEMBL20008784

C=C(Nc1ccc(C)c(C(/C=C/C)=C/C(=C)N2CCCCC2)c1)c1ccnc(SC(=O)OC)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PRMT3 O60678 1/20 0.32
FASN P49327 2/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GFER P55789 1/20 0.31
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
BLK P51451 1/20 0.31
ITK Q08881 1/20 0.31
MAPK14 Q16539 4/20 0.30
RAF1 P04049 1/20 0.30
HSPB1 P04792 1/20 0.30
LYN P07948 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP3A5 P20815 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
SCHEMBL20008137 0.65 PIK3C3 (0.31)
SCHEMBL20008343 0.64 RAF1 (0.38) BTKRAF1
SCHEMBL20008527 0.63 RAF1 (0.36) RAF1
SCHEMBL20008376 0.62 RAF1 (0.42) RAF1
SCHEMBL20008473 0.62 RAF1 (0.41) RAF1
SCHEMBL20008367 0.61 RAF1 (0.41) RAF1
SCHEMBL20008336 0.61 RAF1 (0.40) RAF1
SCHEMBL20009217 0.60 RAF1 (0.39) BTKNPC1RAB9ARAF1SMN1; SMN2
SCHEMBL20009716 0.59 RAF1 (0.41) RAF1
SCHEMBL20008380 0.58 RAF1 (0.48) 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