SCHEMBL17449306

SCHEMBL17449306

N#Cc1cc(N)cc(Br)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
USP2 O75604 1/20 0.33
USP8 P40818 1/20 0.33
USP5 P45974 1/20 0.33
USP4 Q13107 1/20 0.33
USP7 Q93009 1/20 0.33
MDM4 O15151 1/20 0.33
HTR6 P50406 1/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
EGLN2 Q96KS0 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL28928746 0.84 USP2 (0.39) USP2USP8USP5USP4USP7
SCHEMBL221209 0.75
SCHEMBL14920453 0.75 RECQL (0.44) HTTUSP2GAAMAPTKDM4E
SCHEMBL8687439 0.74 MEN1 (0.32) HTTMAPTKDM4EMEN1KMT2A
SCHEMBL5775562 0.74 KDM4E (0.47) HTTGAAKDM4EEGLN2MEN1
SCHEMBL16992916 0.74 KHK (0.36) USP2USP8USP5USP4USP7
SCHEMBL19837522 0.74 MBOAT4 (0.37) MAPTKDM4EEGLN2HPGDSMN1; SMN2
SCHEMBL10614252 0.73 KDM4E (0.30) GAAMAPTKDM4E
SCHEMBL7136171 0.71 HTR6 (0.71) USP2HTR6KDM4EMEN1KMT2A
SCHEMBL25308965 0.71 TAAR1 (0.35)

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