SCHEMBL28077985

SCHEMBL28077985

O=C1C=Nc2ncccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 3/20 0.45
CDC25B P30305 3/20 0.45
TDP2 O95551 2/20 0.45
NSD2 O96028 2/20 0.45
PAX8 Q06710 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
KMT2A Q03164 2/20 0.45
ABL1 P00519 1/20 0.45
PLCG1 P19174 1/20 0.45
CES1 P23141 1/20 0.45
RIN1 Q13671 1/20 0.45
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
BLM P54132 1/20 0.45
GAA P10253 1/20 0.45
PTPRC P08575 2/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
PTPN13 Q12923 1/20 0.41
PADI1 Q9ULC6 2/20 0.39

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
SCHEMBL10434480 0.88 TDP2 (0.49) S100A4CDC25BTDP2NSD2PAX8
SCHEMBL30737515 0.79 CDC25B (0.31) S100A4CDC25BTDP2NSD2PAX8
SCHEMBL28371493 0.74 PIM1 (0.43) S100A4CDC25BTDP2NSD2PAX8
SCHEMBL21815564 0.71 S100A4 (0.52) S100A4CDC25BTDP2NSD2PAX8
SCHEMBL2917444 0.71 S100A4 (0.52) S100A4CDC25BTDP2NSD2PAX8
SCHEMBL29498808 0.69 TDP2 (0.41) S100A4CDC25BTDP2NSD2PAX8
SCHEMBL618332 0.69 TDP2 (0.41) S100A4CDC25BTDP2NSD2PAX8
Hydrochloric Acid SCHEMBL15327096 0.68 TDP2 (0.39) S100A4CDC25BTDP2NSD2PAX8
SCHEMBL26512083 0.67 TDP2 (0.38) S100A4CDC25BTDP2NSD2PAX8
SCHEMBL9384246 0.67 TDP2 (0.42) S100A4CDC25BTDP2NSD2PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116057061-A USP7 inhibitors 首药控股(北京)股份有限公司 2023-05-02 CN disclosed
CN-115298192-A 4' -O-methylene phosphonate nucleic acids and analogs thereof 迪克纳制药公司 2022-11-04 CN disclosed
CN-105777747-A 4-chloro-7-azaindole and preparation method thereof 叶芳 2016-07-20 CN disclosed