SCHEMBL17440656

SCHEMBL17440656

Brc1ccc2cnn(Cc3nccs3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.48
FGFR1 P11362 1/20 0.40
FGFR4 P22455 1/20 0.40
TRPM5 Q9NZQ8 1/20 0.37
ERBB2 P04626 5/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
NR3C1 P04150 2/20 0.35
CYP1B1 Q16678 1/20 0.34
RECQL P46063 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
EGFR P00533 3/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
NTRK1 P04629 1/20 0.33

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
SCHEMBL20786960 0.80 PTGS1 (0.42) TRPM5ERBB2PTGS1PTGS2NR3C1
SCHEMBL3377324 0.77 ERBB2 (0.43) TRPM5ERBB2PTGS1PTGS2NR3C1
SCHEMBL30817517 0.73 KMO (0.60) KMOFGFR1FGFR4RECQLHTR2A
SCHEMBL2543455 0.73 RECQL (0.66) KMOFGFR1FGFR4ERBB2RECQL
SCHEMBL30694932 0.73 RECQL (0.66) KMOFGFR1FGFR4ERBB2RECQL
SCHEMBL3375263 0.72 GLS (0.58) ERBB2PTGS1PTGS2EGFR
SCHEMBL6181444 0.71 KMO (0.59) KMOFGFR1FGFR4HTR2AHTR2C
SCHEMBL30381343 0.71 KMO (0.59) KMOFGFR1FGFR4HTR2AHTR2C
SCHEMBL17673897 0.71 KMO (0.62) KMOFGFR1FGFR4RECQLHTR2A
SCHEMBL17673818 0.70 KMO (0.66) KMOFGFR1FGFR4RECQLHTR2A

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
WO-2016011390-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. (US) 2016-01-21 WO disclosed