SCHEMBL23601204

SCHEMBL23601204

CN(c1cccc(N2CCCC2)c1)c1nc(=N)n(C=N)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.38
HTR2C P28335 3/20 0.33
HTR1A P08908 2/20 0.33
HTR2A P28223 2/20 0.33
HTR7 P34969 2/20 0.33
DRD3 P35462 2/20 0.33
HTR6 P50406 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
APP P05067 1/20 0.32
KDM4E B2RXH2 4/20 0.32
GAA P10253 4/20 0.32
PDE5A O76074 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PMM2 O15305 1/20 0.32
MPI P34949 1/20 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
SCHEMBL23601230 0.80 SIGMAR1 (0.41) ABCG2PDE5AMAPTMEN1KMT2A
SCHEMBL23601333 0.80 ADORA3 (0.35) ABCG2PDE5AMAPK1MEN1KMT2A
SCHEMBL23601745 0.79 ABCG2 (0.36) ABCG2PDE5ACLK1CLK2DYRK1A
SCHEMBL23600997 0.77 PDGFRB (0.34) ABCG2PDE5ACLK1CLK2DYRK1A
SCHEMBL29909385 0.76 MAPT (0.42) KDM4CHTR2CHTR1AHTR2AHTR7
SCHEMBL23577273 0.76 MAPT (0.42) KDM4CHTR2CHTR1AHTR2AHTR7
SCHEMBL23601809 0.75 LMNA (0.41) PDE5AMAPTHPGD
SCHEMBL23600980 0.75 EGFR (0.36) ABCG2KDM4EPDE5AALDH1A1MAPT
SCHEMBL23601069 0.73 PDE5A (0.37) PDE5AMAPTDYRK1A
SCHEMBL23601707 0.72 PDE5A (0.42) ABCG2PDE5A

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
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed