SCHEMBL30867197

SCHEMBL30867197

c1cncc(-c2nc(NCCc3c[nH]c4ccccc34)c3ncsc3n2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 8/20 0.69
CYP1A2 P05177 3/20 0.55
CYP3A4 P08684 3/20 0.55
CYP2D6 P10635 3/20 0.55
CYP2C19 P33261 3/20 0.55
CLK4 Q9HAZ1 3/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
USP2 O75604 2/20 0.55
CYP2C9 P11712 2/20 0.55
HSD17B10 Q99714 2/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TSHR P16473 1/20 0.55
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
PDE5A O76074 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALOX15 P16050 1/20 0.45

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
SCHEMBL30867186 0.91 GBA1 (0.55) GBA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL27319390 0.91 GBA1 (0.55) GBA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL31534058 0.86 GBA1 (0.49) GBA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL27319374 0.86 GBA1 (0.49) GBA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL27319347 0.85 GBA1 (0.49) GBA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL30867184 0.85 GBA1 (0.49) GBA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL30867198 0.85 GBA1 (0.49) GBA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL27319878 0.85 GBA1 (0.49) GBA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL30867159 0.84 GBA1 (0.48) GBA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL27319354 0.84 GBA1 (0.48) GBA1CYP1A2CYP3A4CYP2D6CYP2C19

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