SCHEMBL19737570

SCHEMBL19737570

Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3cccnc3)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 1.00
MEN1 O00255 6/20 1.00
KMT2A Q03164 6/20 1.00
NPC1 O15118 5/20 1.00
MCL1 Q07820 3/20 1.00
PKM P14618 1/20 1.00
SMN1; SMN2 Q16637 4/20 0.75
TLR9 Q9NR96 2/20 0.74
RECQL P46063 1/20 0.74
USP2 O75604 2/20 0.71
LIMK1 P53667 2/20 0.70
TP53 P04637 5/20 0.64
RAB9A P51151 4/20 0.64
POLB P06746 3/20 0.64
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
LMNA P02545 1/20 0.64
ALOX15 P16050 1/20 0.64
MAPK1 P28482 1/20 0.64

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
SCHEMBL19737573 0.94 MAPT (0.88) MAPTMEN1KMT2ANPC1MCL1
SCHEMBL21087862 0.92 MAPT (0.84) MAPTMEN1KMT2ANPC1MCL1
SCHEMBL14955150 0.91 MAPT (0.83) MAPTMEN1KMT2ANPC1MCL1
SCHEMBL22130983 0.91 MAPT (0.83) MAPTMEN1KMT2ANPC1MCL1
SCHEMBL19737749 0.91 MAPT (0.83) MAPTMEN1KMT2ANPC1MCL1
SCHEMBL19737515 0.88 MAPT (0.78) MAPTMEN1KMT2ANPC1MCL1
SCHEMBL19737753 0.88 MAPT (0.78) MAPTMEN1KMT2ANPC1MCL1
SCHEMBL19737725 0.85 MAPT (0.79) MAPTMEN1KMT2ANPC1MCL1
SCHEMBL19737750 0.85 MAPT (0.75) MAPTMEN1KMT2ANPC1MCL1
SCHEMBL21051647 0.85 MAPT (0.74) MAPTMEN1KMT2ANPC1MCL1

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-2017217439-A1 THIENO[2,3-b]PYRIDINE DERIVATIVE AND QUINOLINE DERIVATIVE, AND USE THEREOF 国立大学法人東京大学 2017-12-21 WO disclosed