SCHEMBL30458561

SCHEMBL30458561

[2H]N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.77
LCK P06239 3/20 0.77
LYN P07948 3/20 0.77
NUDT14 O95848 2/20 0.66
NUDT5 Q9UKK9 2/20 0.66
SRC P12931 2/20 0.62
KDR P35968 2/20 0.62
TEK Q02763 1/20 0.62
EGFR P00533 4/20 0.60
TEC P42680 3/20 0.60
BMX P51813 3/20 0.60
TXK P42681 2/20 0.60
FGFR2 P21802 2/20 0.60
ITK Q08881 2/20 0.60
BLK P51451 2/20 0.60
RIPK2 O43353 1/20 0.60
NR1I2 O75469 1/20 0.60
SLC22A3 O75751 1/20 0.60
LATS1 O95835 1/20 0.60
ABL1 P00519 1/20 0.60

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
SCHEMBL30225021 1.00 BTK (0.77) BTKLCKLYNNUDT14NUDT5
SCHEMBL29611773 0.91 BTK (0.80) BTKLCKLYNNUDT14NUDT5
SCHEMBL1614098 0.91 BTK (0.80) BTKLCKLYNNUDT14NUDT5
SCHEMBL17713765 0.91 BTK (0.80) BTKLCKLYNNUDT14NUDT5
SCHEMBL1614096 0.91 BTK (0.80) BTKLCKLYNNUDT14NUDT5
Hydrochloric Acid SCHEMBL17713741 0.90 BTK (0.78) BTKLCKLYNNUDT14NUDT5
Hydrochloric Acid SCHEMBL16931734 0.90 BTK (0.78) BTKLCKLYNNUDT14NUDT5
Hydrochloric Acid SCHEMBL17713743 0.90 BTK (0.78) BTKLCKLYNNUDT14NUDT5
Hydrochloric Acid SCHEMBL16931735 0.90 BTK (0.78) BTKLCKLYNNUDT14NUDT5
SCHEMBL30302001 0.89 BTK (0.79) BTKLCKLYNNUDT14NUDT5

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-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 WO claimed