SCHEMBL20206201

SCHEMBL20206201

O=C(O)c1ccc(NC(=O)c2cccc(Br)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GRM5 P41594 1/20 0.54
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
CA2 P00918 2/20 0.51
CA1 P00915 1/20 0.51
GAA P10253 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
FFAR1 O14842 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
RECQL P46063 1/20 0.50
MCL1 Q07820 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL20189257 0.88 POLB (0.55) POLBMEN1KMT2AGRM5ALDH1A1
SCHEMBL20189793 0.88 POLB (0.62) POLBMEN1KMT2AGRM5ALDH1A1
SCHEMBL24021474 0.87 MAPT (0.56) POLBMEN1KMT2AGRM5ALDH1A1
SCHEMBL20206102 0.85 GRM5 (0.55) POLBMEN1KMT2AGRM5ALDH1A1
SCHEMBL20766926 0.83 MAPT (0.65) POLBMEN1KMT2AGRM5ALDH1A1
SCHEMBL20189462 0.83 POLB (0.56) POLBMEN1KMT2AGRM5ALDH1A1
SCHEMBL24021453 0.82 GRM5 (0.48) POLBMEN1KMT2AGRM5ALDH1A1
SCHEMBL12468912 0.81 POLB (0.57) POLBMEN1KMT2AGRM5ALDH1A1
SCHEMBL20189986 0.81 IRAK1 (0.62) POLBMEN1KMT2AGRM5ALDH1A1
SCHEMBL20206158 0.81 POLB (0.53) POLBMEN1KMT2AGRM5ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544970-B1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-11-17 EP disclosed
WO-2018098367-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 WO disclosed