SCHEMBL25470570

SCHEMBL25470570

COc1ccccc1Oc1ccc(-c2nn(C3CCNCC3)c3ncnc(N)c23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.65
LCK P06239 3/20 0.65
LYN P07948 1/20 0.65
NUDT14 O95848 1/20 0.64
NUDT5 Q9UKK9 1/20 0.64
SRC P12931 10/20 0.62
FGFR1 P11362 1/20 0.62
EGFR P00533 10/20 0.61
KDR P35968 9/20 0.61
PIK3CD O00329 7/20 0.61
ABL1 P00519 7/20 0.61
HCK P08631 7/20 0.61
PIK3CA P42336 7/20 0.61
PIK3CB P42338 7/20 0.61
MTOR P42345 7/20 0.61
PIK3CG P48736 7/20 0.61
EPHB4 P54760 7/20 0.61
PRKDC P78527 7/20 0.61
PI4KB Q9UBF8 7/20 0.61
TEK Q02763 2/20 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
SCHEMBL30415789 0.89 BTK (0.68) BTKLCKLYNNUDT14NUDT5
SCHEMBL24196857 0.89 BTK (0.68) BTKLCKLYNNUDT14NUDT5
SCHEMBL30415747 0.89 BTK (0.65) BTKLCKLYNNUDT14NUDT5
SCHEMBL24196897 0.89 BTK (0.65) BTKLCKLYNNUDT14NUDT5
SCHEMBL5801169 0.88 BTK (0.82) BTKLCKLYNNUDT14NUDT5
Hydrochloric Acid SCHEMBL21331506 0.88 BTK (0.81) BTKLCKLYNNUDT14NUDT5
SCHEMBL25933038 0.86 BTK (0.66) BTKLCKLYNNUDT14NUDT5
SCHEMBL25934984 0.86 BTK (0.66) BTKLCKLYNNUDT14NUDT5
SCHEMBL24196604 0.85 BTK (0.68) BTKLCKLYNNUDT14NUDT5
SCHEMBL25466297 0.85 BTK (0.68) 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
EP-4180432-A1 COMPOUND HAVING BTK KINASE DEGRADING ACTIVITY, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREFOR Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-05-17 EP disclosed