SCHEMBL28643229

SCHEMBL28643229

c1ccc(Oc2ccc(-c3ccn(C4CCN(CC5CN(C6CCNCC6)C5)CC4)n3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAUR Q03405 1/20 0.37
APP P05067 1/20 0.37
LCK P06239 2/20 0.36
SRC P12931 2/20 0.36
TEK Q02763 1/20 0.36
BTK Q06187 3/20 0.36
SCN4A P35499 1/20 0.36
ALK Q9UM73 1/20 0.35
PIM1 P11309 1/20 0.35
MAPK14 Q16539 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
TNK2 Q07912 1/20 0.34
PAICS P22234 1/20 0.34
KDM2B Q8NHM5 3/20 0.34

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
SCHEMBL22721138 0.87 PLAUR (0.40) PLAURLCKSRCTEKBTK
SCHEMBL5805292 0.87 PLAUR (0.42) PLAURLCKSRCTEKBTK
SCHEMBL7047879 0.85 SCN4A (0.47) PLAURLCKSRCTEKBTK
SCHEMBL22720893 0.84 MMP2 (0.37) APPBTKSCN4AMMP2MMP9
SCHEMBL22720878 0.79 SCN4A (0.42) LCKSRCTEKBTKSCN4A
SCHEMBL5804770 0.78 LCK (0.47) PLAURLCKSRCTEKBTK
SCHEMBL27959668 0.78 LCK (0.47) PLAURLCKSRCTEKBTK
SCHEMBL22720927 0.78 SCN4A (0.40) PLAURLCKSRCTEKBTK
SCHEMBL5803668 0.78 DRD4 (0.54) SCN4A
SCHEMBL22720674 0.77 MAPK14 (0.38) PLAURLCKSRCTEKBTK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118027041-A BTK inhibitor ring derivative and preparation method and pharmaceutical application thereof 西藏海思科制药有限公司 2024-05-14 CN disclosed
CN-113544130-B BTK inhibitor ring derivative and preparation method and pharmaceutical application thereof 西藏海思科制药有限公司 2024-01-09 CN disclosed
CN-113544130-A BTK inhibitor ring derivative, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2021-10-22 CN disclosed