SCHEMBL17499718

SCHEMBL17499718

Cn1cnc2ccc(C=NCCc3ccccc3O[Si](C)(C)C)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.37
SHBG P04278 1/20 0.35
DYRK1A Q13627 6/20 0.33
CLK1 P49759 5/20 0.33
CLK4 Q9HAZ1 5/20 0.33
DYRK1B Q9Y463 5/20 0.33
MAPT P10636 2/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
DYRK3 O43781 3/20 0.32
CLK2 P49760 3/20 0.32
CLK3 P49761 3/20 0.32
DYRK2 Q92630 3/20 0.32
DYRK4 Q9NR20 3/20 0.32
CDK5 Q00535 2/20 0.32
CDK5R1 Q15078 2/20 0.32
GSK3B P49841 1/20 0.32
BACE1 P56817 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32

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
SCHEMBL16102217 0.89 SHBG (0.43) NOTUMSHBGDYRK1ACLK1CLK4
SCHEMBL16103586 0.89 NOTUM (0.38) NOTUMDYRK1ACLK1CLK4DYRK1B
SCHEMBL16103588 0.89 NOTUM (0.38) NOTUMDYRK1ACLK1CLK4DYRK1B
SCHEMBL16103543 0.80 BCHE (0.34) MAPTTHRBPKMNPC1RAB9A
SCHEMBL17499687 0.79 NOTUM (0.38) NOTUMDYRK1ACLK1CLK4DYRK1B
SCHEMBL17499683 0.79 NOTUM (0.38) NOTUMDYRK1ACLK1CLK4DYRK1B
SCHEMBL16103153 0.78 MAPT (0.42) NOTUMDYRK1ACLK1CLK4DYRK1B
SCHEMBL16103156 0.78 MAPT (0.42) NOTUMDYRK1ACLK1CLK4DYRK1B
SCHEMBL17499697 0.77 CYP1A2 (0.30) SMN1; SMN2
SCHEMBL17499714 0.76 DYRK1A (0.37) NOTUMDYRK1ACLK1CLK4DYRK1B

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
EP-2969593-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORP (JP) 2020-11-04 EP disclosed
US-9850328-B2 Polymers functionalized with heterocyclic imines BRIDGESTONE CORPORATION (JP) 2017-12-26 US disclosed
US-20160039958-A1 Polymers Functionalized With Heterocyclic Imines BRIDGESTONE CORPORATION (JP) 2016-02-11 US disclosed