SCHEMBL30867190

SCHEMBL30867190

Fc1cc(F)cc(-c2ncc3nc(OCCc4c[nH]c5ccccc45)sc3n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.41
NEK4 P51957 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
NAMPT P43490 1/20 0.40
SSTR4 P31391 2/20 0.39
SSTR2 P30874 1/20 0.39
CDK4 P11802 4/20 0.38
CCND1 P24385 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AKT1 P31749 2/20 0.37
ROCK2 O75116 1/20 0.37
PIM1 P11309 1/20 0.37
RPS6KB1 P23443 1/20 0.37
AKT2 P31751 1/20 0.37
GSK3A P49840 1/20 0.37
RPS6KA3 P51812 1/20 0.37
LIMK1 P53667 1/20 0.37
PRKCD Q05655 1/20 0.37

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
SCHEMBL30867168 0.93 CDK4 (0.41) GSK3BNEK4CSNK2A1CLK4NAMPT
SCHEMBL31534062 0.92 CDK4 (0.43) GSK3BNEK4CSNK2A1CLK4NAMPT
SCHEMBL31534077 0.87 GBA1 (0.41) GSK3BNEK4CSNK2A1CLK4SSTR4
SCHEMBL31534063 0.85 HTR1A (0.43) KMT2AHTR1ASLC6A4
SCHEMBL30867182 0.81 SSTR2 (0.43) GSK3BNEK4CSNK2A1CLK4SSTR4
SCHEMBL30867181 0.81 SSTR2 (0.43) GSK3BNEK4CSNK2A1CLK4SSTR4
SCHEMBL31534067 0.76 MPO (0.41) KMT2AHTR1ASLC6A4
SCHEMBL31534096 0.76 GSK3B (0.39) GSK3BNEK4CSNK2A1CLK4NAMPT
SCHEMBL27319549 0.76 GSK3B (0.39) GSK3BNEK4CSNK2A1CLK4NAMPT
SCHEMBL31534086 0.73 HTR1A (0.39) CDK4CCND1MEN1KMT2AHTR1A

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