SCHEMBL30867182

SCHEMBL30867182

Clc1ncc2nc(OCCc3c[nH]c4ccccc34)sc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR2 P30874 1/20 0.43
SSTR4 P31391 1/20 0.43
GSK3B P49841 1/20 0.41
NEK4 P51957 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
KMT2A Q03164 4/20 0.40
POLB P06746 1/20 0.40
SLC2A1 P11166 1/20 0.40
RAD52 P43351 1/20 0.40
HTR2A P28223 4/20 0.39
HTR7 P34969 2/20 0.39
HTR6 P50406 2/20 0.39
HTR2C P28335 2/20 0.39
CYP3A4 P08684 2/20 0.39
MPO P05164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL30867181 1.00 SSTR2 (0.43) SSTR2SSTR4GSK3BNEK4CSNK2A1
SCHEMBL31534077 0.83 GBA1 (0.41) SSTR2SSTR4GSK3BNEK4CSNK2A1
SCHEMBL31534062 0.83 CDK4 (0.43) SSTR2SSTR4GSK3BNEK4CSNK2A1
SCHEMBL30867190 0.81 GSK3B (0.41) SSTR2SSTR4GSK3BNEK4CSNK2A1
SCHEMBL30867168 0.80 CDK4 (0.41) SSTR2SSTR4GSK3BNEK4CSNK2A1
SCHEMBL30867144 0.74 HTR2A (0.44) CLK4HTR2AHTR7HTR6HTR2C
SCHEMBL30867210 0.72 HTR2A (0.39) HTR2AHTR1ASLC6A4GPR84
SCHEMBL31534090 0.72 HTR2A (0.39) HTR2AHTR7HTR6HTR2CHTR1D
SCHEMBL30867180 0.72 SSTR2 (0.43) SSTR2SSTR4GSK3BNEK4CSNK2A1
SCHEMBL27318935 0.72 SSTR2 (0.43) SSTR2SSTR4GSK3BNEK4CSNK2A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4598931-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2025-08-13 EP disclosed
WO-2024076300-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2024-04-11 WO disclosed