SCHEMBL23601370

SCHEMBL23601370

N/N=c1/nc(N2CCOc3c(Br)cccc32)c2cc(F)ccc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.33
DRD2 P14416 1/20 0.33
HTR1A P08908 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
JAK2 O60674 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL23601547 0.82 HTR2A (0.37) HTR6HTR1AHTR2AHTR2CJAK2
SCHEMBL29909344 0.76 EGFR (0.36) HTR6HTTSMN1; SMN2
SCHEMBL23577369 0.76 EGFR (0.36) HTR6HTTSMN1; SMN2
SCHEMBL29909030 0.76 KDM4E (0.33) HTR6KDM4ELMNAMAPTHPGD
SCHEMBL24807797 0.76 MAP3K5 (0.31) HTR6
SCHEMBL29909214 0.75 MAPT (0.33) HTR6PIK3CBPIK3CGMAPTSMN1; SMN2
SCHEMBL23577938 0.75 MAPT (0.33) HTR6PIK3CBPIK3CGMAPTSMN1; SMN2
SCHEMBL30049517 0.73 ACHE (0.35) HTR1AHTR2AHTR2CJAK2
SCHEMBL24813530 0.73 ACHE (0.35) HTR1AHTR2AHTR2CJAK2
SCHEMBL23576677 0.72 PIK3CA (0.32) PIK3CBPIK3CG

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