SCHEMBL30302001

SCHEMBL30302001

[2H]N1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.79
LCK P06239 4/20 0.79
LYN P07948 2/20 0.79
NUDT14 O95848 2/20 0.74
NUDT5 Q9UKK9 2/20 0.74
SRC P12931 2/20 0.69
KDR P35968 1/20 0.69
TEK Q02763 1/20 0.69
EGFR P00533 3/20 0.65
ITK Q08881 2/20 0.63
ABL1 P00519 1/20 0.63
ERBB2 P04626 1/20 0.63
FYN P06241 1/20 0.63
YES1 P07947 1/20 0.63
HCK P08631 1/20 0.63
FGR P09769 1/20 0.63
FER P16591 1/20 0.63
CSK P41240 1/20 0.63
TEC P42680 1/20 0.63
BLK P51451 1/20 0.63

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
SCHEMBL5801169 0.92 BTK (0.82) BTKLCKLYNNUDT14NUDT5
SCHEMBL30301973 0.92 BTK (0.77) BTKLCKLYNNUDT14NUDT5
Hydrochloric Acid SCHEMBL21331506 0.91 BTK (0.81) BTKLCKLYNNUDT14NUDT5
SCHEMBL30586962 0.89 BTK (1.00) BTKLCKLYNNUDT14NUDT5
SCHEMBL6431516 0.89 BTK (1.00) BTKLCKLYNNUDT14NUDT5
SCHEMBL30225021 0.89 BTK (0.77) BTKLCKLYNNUDT14NUDT5
SCHEMBL30458561 0.89 BTK (0.77) BTKLCKLYNNUDT14NUDT5
SCHEMBL5803386 0.88 BTK (0.76) BTKLCKLYNNUDT14NUDT5
SCHEMBL14576054 0.88 BTK (0.76) BTKLCKLYNNUDT14NUDT5
SCHEMBL17713980 0.88 BTK (0.98) 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 2 patents. 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
WO-2023072270-A1 PROTAC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 百极弘烨(南通)医药科技有限公司 2023-05-04 WO disclosed