SCHEMBL30867168

SCHEMBL30867168

Fc1cccc(-c2ncc3nc(OCCc4c[nH]c5ccccc45)sc3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.41
CCND1 P24385 4/20 0.41
GSK3B P49841 2/20 0.40
NEK4 P51957 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PTPN1 P18031 1/20 0.39
NAMPT P43490 1/20 0.39
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38
SSTR4 P31391 2/20 0.37
GBA1 P04062 1/20 0.37
SSTR2 P30874 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
SSTR3 P32745 1/20 0.37
AKT1 P31749 2/20 0.36
ROCK2 O75116 1/20 0.36
PIM1 P11309 1/20 0.36

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
SCHEMBL31534063 0.93 HTR1A (0.43) KMT2AHTR1ASLC6A4
SCHEMBL30867190 0.93 GSK3B (0.41) CDK4CCND1GSK3BNEK4CSNK2A1
SCHEMBL31534062 0.91 CDK4 (0.43) CDK4CCND1GSK3BNEK4CSNK2A1
SCHEMBL31534077 0.85 GBA1 (0.41) CDK4CCND1GSK3BNEK4CSNK2A1
SCHEMBL30867182 0.80 SSTR2 (0.43) GSK3BNEK4CSNK2A1CLK4MEN1
SCHEMBL30867181 0.80 SSTR2 (0.43) GSK3BNEK4CSNK2A1CLK4MEN1
SCHEMBL31534067 0.77 MPO (0.41) KMT2AHTR1ASLC6A4
SCHEMBL31534072 0.76 CDK4 (0.43) CDK4CCND1GSK3BNEK4CSNK2A1
SCHEMBL31534059 0.75 CDK4 (0.44) CDK4CCND1MEN1KMT2AHTR1A
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