SCHEMBL24816017

SCHEMBL24816017

NNc1nc(N2CCOCc3c(Br)cccc32)c2cc(F)ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
DHODH Q02127 6/20 0.35
PRKCA P17252 1/20 0.33
PRKCQ Q04759 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
IDO2 Q6ZQW0 1/20 0.32
BCHE P06276 2/20 0.31
ACHE P22303 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNH2 Q12809 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
SCHEMBL23577188 0.86 BCHE (0.40) DHODHBCHEACHEGRIN1GRIN2A
SCHEMBL29909143 0.86 BCHE (0.40) DHODHBCHEACHEGRIN1GRIN2A
SCHEMBL24816016 0.85 DHODH (0.36) MAPK1KDM4EDHODHIDO1TDO2
SCHEMBL29909030 0.85 KDM4E (0.33) MAPK1LMNAHPGDKDM4ETSHR
SCHEMBL24813187 0.84 AKT1 (0.34)
SCHEMBL29909109 0.83 ACHE (0.34) MAPK1LMNAHPGDKDM4ETSHR
SCHEMBL23576881 0.83 ACHE (0.34) MAPK1LMNAHPGDKDM4ETSHR
SCHEMBL24806346 0.74 MAP4K1 (0.35)
SCHEMBL30047169 0.73 DHODH (0.32) HPGDKDM4EDHODHSMN1; SMN2
SCHEMBL24806347 0.72 ABL1 (0.32) TSHR

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