SCHEMBL17499115

SCHEMBL17499115

COC(CN=Cc1nccn1C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
DYRK3 O43781 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK4 Q9NR20 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
BRD4 O60885 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL17499247 0.89 KDM4E (0.38) KDM4ECYP2D6MAPTKMT2AMEN1
SCHEMBL16099271 0.79 MEN1 (0.38) KDM4EKMT2AMEN1TAAR1DYRK3
SCHEMBL17499455 0.77 MEN1 (0.33) KMT2AMEN1TAAR1DYRK3CLK1
SCHEMBL16097757 0.77 MAOA (0.44) KMT2AMEN1TAAR1
SCHEMBL28040296 0.76 KMT2A (0.34) KMT2AMEN1TAAR1DYRK3CLK1
SCHEMBL28039870 0.76 MET (0.42) CYP2D6KMT2AMEN1TAAR1DYRK3
SCHEMBL16103217 0.75 KDM4E (0.52) KDM4EMAPTKMT2AMEN1L3MBTL1
SCHEMBL17499789 0.75 MEN1 (0.34) KMT2AMEN1TAAR1DYRK3CLK1
SCHEMBL17499336 0.75 PDE4A (0.33) KMT2AMEN1TAAR1DYRK3CLK1
SCHEMBL16096005 0.75 MEN1 (0.43) KDM4EMAPTKMT2AMEN1TAAR1

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