SCHEMBL22737838

SCHEMBL22737838

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@H]1CCN(I)C[C@@H]1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.64
▸ LCK P06239 4/20 0.64
▸ LYN P07948 3/20 0.64
▸ NUDT14 O95848 2/20 0.62
▸ NUDT5 Q9UKK9 2/20 0.62
▸ SRC P12931 2/20 0.59
▸ KDR P35968 2/20 0.59
▸ TEK Q02763 1/20 0.59
▸ EGFR P00533 5/20 0.57
▸ TEC P42680 3/20 0.57
▸ BMX P51813 3/20 0.57
▸ ITK Q08881 3/20 0.57
▸ TXK P42681 2/20 0.57
▸ FGFR2 P21802 2/20 0.57
▸ BLK P51451 2/20 0.57
▸ RIPK2 O43353 1/20 0.57
▸ NR1I2 O75469 1/20 0.57
▸ SLC22A3 O75751 1/20 0.57
▸ LATS1 O95835 1/20 0.57
▸ ABL1 P00519 1/20 0.57

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
SCHEMBL22737315 1.00 BTK (0.64) BTKLCKLYNNUDT14NUDT5
SCHEMBL22738101 1.00 BTK (0.64) BTKLCKLYNNUDT14NUDT5
SCHEMBL22737833 1.00 BTK (0.64) BTKLCKLYNNUDT14NUDT5
SCHEMBL22737557 0.89 BTK (0.73) BTKLCKLYNNUDT14NUDT5
SCHEMBL22737365 0.89 BTK (0.73) BTKLCKLYNNUDT14NUDT5
SCHEMBL24197165 0.89 BTK (0.73) BTKLCKLYNNUDT14NUDT5
SCHEMBL24197163 0.89 BTK (0.73) BTKLCKLYNNUDT14NUDT5
SCHEMBL22737367 0.89 BTK (0.73) BTKLCKLYNNUDT14NUDT5
SCHEMBL24827835 0.89 BTK (0.62) BTKLCKLYNNUDT14NUDT5
SCHEMBL24827786 0.89 BTK (0.62) 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
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
WO-2020239103-A1 BTK INHIBITOR RING DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF 四川海思科制药有限公司 2020-12-03 — — WO disclosed
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