SCHEMBL24813530

SCHEMBL24813530

N/N=c1/nc(N2CCCCc3c(Br)cncc32)c2cc(F)ccc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.35
BCHE P06276 5/20 0.35
GRIN1 Q05586 5/20 0.35
GRIN2A Q12879 5/20 0.35
JAK2 O60674 2/20 0.34
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
MAPK10 P53779 1/20 0.31
RIPK1 Q13546 1/20 0.31
CHUK O15111 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL30049517 1.00 ACHE (0.35) ACHEBCHEGRIN1GRIN2AJAK2
SCHEMBL30095582 0.86 JAK2 (0.35) ACHEBCHEGRIN1GRIN2AJAK2
SCHEMBL24808712 0.86 JAK2 (0.35) ACHEBCHEGRIN1GRIN2AJAK2
SCHEMBL23601547 0.84 HTR2A (0.37) ACHEBCHEGRIN1GRIN2AJAK2
SCHEMBL24806334 0.73 ACHE (0.31) ACHE
SCHEMBL23601370 0.73 HTR6 (0.33) JAK2HTR1AHTR2AHTR2C
SCHEMBL24806337 0.72 RET (0.32)
SCHEMBL23576649 0.72 MAPT (0.34) ACHEBCHEGRIN1GRIN2A
SCHEMBL30979164 0.72 MAPT (0.34) ACHEBCHEGRIN1GRIN2A
SCHEMBL23601543 0.69 ACHE (0.37) ACHEJAK2GSK3BMAPK10RIPK1

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-2022271684-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-29 WO disclosed