SCHEMBL30954855

SCHEMBL30954855

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CC2CNCC2C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.73
LCK P06239 3/20 0.73
LYN P07948 2/20 0.73
NUDT14 O95848 2/20 0.68
NUDT5 Q9UKK9 2/20 0.68
SRC P12931 2/20 0.64
KDR P35968 1/20 0.64
TEK Q02763 1/20 0.64
EGFR P00533 2/20 0.60
ABL1 P00519 1/20 0.58
ERBB2 P04626 1/20 0.58
FYN P06241 1/20 0.58
YES1 P07947 1/20 0.58
HCK P08631 1/20 0.58
FGR P09769 1/20 0.58
FER P16591 1/20 0.58
CSK P41240 1/20 0.58
TEC P42680 1/20 0.58
BLK P51451 1/20 0.58
BMX P51813 1/20 0.58

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
SCHEMBL30954852 1.00 BTK (0.73) BTKLCKLYNNUDT14NUDT5
SCHEMBL18335266 1.00 BTK (0.73) BTKLCKLYNNUDT14NUDT5
SCHEMBL22737338 0.92 BTK (0.71) BTKLCKLYNNUDT14NUDT5
SCHEMBL22737337 0.92 BTK (0.71) BTKLCKLYNNUDT14NUDT5
SCHEMBL29665749 0.92 BTK (0.78) BTKLCKLYNNUDT14NUDT5
SCHEMBL5803516 0.92 BTK (0.78) BTKLCKLYNNUDT14NUDT5
SCHEMBL24697240 0.92 BTK (0.67) BTKLCKLYNNUDT14NUDT5
SCHEMBL30301970 0.90 BTK (0.65) BTKLCKLYNNUDT14NUDT5
SCHEMBL24697770 0.90 BTK (0.65) BTKLCKLYNNUDT14NUDT5
SCHEMBL26104091 0.90 BTK (0.65) 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
CN-118201929-A PROTAC compound, pharmaceutical composition containing same, and preparation method and application thereof 广东弘烨医药科技有限公司 2024-06-14 CN disclosed