SCHEMBL30867198

SCHEMBL30867198

N#Cc1cncc(-c2nc(NCCc3c[nH]c4ccccc34)c3ncsc3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.49
KMT2A Q03164 7/20 0.47
LMNA P02545 7/20 0.47
USP2 O75604 6/20 0.47
CYP1A2 P05177 6/20 0.47
CYP3A4 P08684 6/20 0.47
CYP2D6 P10635 6/20 0.47
CYP2C9 P11712 6/20 0.47
CYP2C19 P33261 6/20 0.47
MEN1 O00255 6/20 0.47
CLK4 Q9HAZ1 5/20 0.47
ALDH1A1 P00352 2/20 0.47
HIF1A Q16665 1/20 0.47
IP6K1 Q92551 1/20 0.43
MAPK1 P28482 4/20 0.42
CDK2 P24941 1/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX5AP P20292 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL27319878 1.00 GBA1 (0.49) GBA1KMT2ALMNAUSP2CYP1A2
SCHEMBL27319390 0.86 GBA1 (0.55) GBA1KMT2ALMNAUSP2CYP1A2
SCHEMBL30867186 0.86 GBA1 (0.55) GBA1KMT2ALMNAUSP2CYP1A2
SCHEMBL31534094 0.86 AKT1 (0.41) GBA1KMT2ALMNAUSP2CYP1A2
SCHEMBL27319700 0.86 AKT1 (0.41) GBA1KMT2ALMNAUSP2CYP1A2
SCHEMBL30867197 0.85 GBA1 (0.69) GBA1KMT2ALMNAUSP2CYP1A2
SCHEMBL29840025 0.84 GBA1 (0.70) GBA1KMT2ALMNAUSP2CYP1A2
SCHEMBL21996554 0.84 GBA1 (0.70) GBA1KMT2ALMNAUSP2CYP1A2
SCHEMBL30867159 0.82 GBA1 (0.48) GBA1KMT2ALMNAUSP2CYP1A2
SCHEMBL27319354 0.82 GBA1 (0.48) GBA1KMT2ALMNAUSP2CYP1A2

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