SCHEMBL29705402

SCHEMBL29705402

CC(C)n1ncc2ncc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
DYRK1A Q13627 2/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.30
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
EZH2 Q15910 1/20 0.30
PAK4 O96013 1/20 0.30
CDK4 P11802 1/20 0.30
FLT3 P36888 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
SCHEMBL19966495 1.00 HSD17B10 (0.39) HSD17B10DYRK1APDE1APDE1BPDE1C
SCHEMBL18885373 0.80 CYP1A2 (0.36) DYRK1APDE1APDE1BPDE1CKDM4E
SCHEMBL16663602 0.79 KDM4E (0.34) PDE1APDE1BPDE1CKDM4EKMT2A
SCHEMBL19542265 0.79 PDE1A (0.34) PDE1APDE1BPDE1CKDM4EHPGD
SCHEMBL22419377 0.77 FGFR1 (0.36) PDE1APDE1BPDE1CKDM4E
SCHEMBL16821681 0.77 SLC6A2 (0.35) HDAC8HTTKMT2A
SCHEMBL22179790 0.77 SLC6A2 (0.35) HDAC8HTTKMT2A
SCHEMBL22419371 0.76 PDE1A (0.38) PDE1APDE1BPDE1CKDM4EHDAC8
SCHEMBL15333094 0.76 HSD17B10 (0.46) HSD17B10DYRK1ASMN1; SMN2KDM4EHTT
SCHEMBL29377303 0.76 HSD17B10 (0.46) HSD17B10DYRK1ASMN1; SMN2KDM4EHTT

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-2022159745-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF HIBERCELL, INC. (US) 2022-07-28 WO disclosed