SCHEMBL30867174

SCHEMBL30867174

Cc1ncc(-c2nc(NCCc3c[nH]c4cc(OC(F)(F)F)ccc34)c3ncsc3n2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.39
IP6K1 Q92551 2/20 0.38
CYP1A2 P05177 10/20 0.36
CYP3A4 P08684 10/20 0.36
CYP2D6 P10635 10/20 0.36
CYP2C19 P33261 10/20 0.36
USP2 O75604 9/20 0.36
CLK4 Q9HAZ1 7/20 0.36
TP53 P04637 5/20 0.36
MAPK1 P28482 5/20 0.36
ALOX15 P16050 3/20 0.36
TRPV1 Q8NER1 5/20 0.36
CYP2C9 P11712 7/20 0.35
TSHR P16473 6/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
LMNA P02545 5/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.35
HIF1A Q16665 2/20 0.35

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
SCHEMBL27320844 1.00 CDK2 (0.39) CDK2IP6K1CYP1A2CYP3A4CYP2D6
SCHEMBL27318664 0.84 GBA1 (0.44) CDK2IP6K1USP2MAPK1ALOX15
SCHEMBL30867196 0.84 GBA1 (0.44) CDK2IP6K1USP2MAPK1ALOX15
SCHEMBL30867201 0.83 CDK2 (0.43) CDK2IP6K1CYP1A2CYP3A4CYP2D6
SCHEMBL27320098 0.83 CDK2 (0.43) CDK2IP6K1CYP1A2CYP3A4CYP2D6
SCHEMBL31534052 0.81 CYP1A2 (0.40) CDK2IP6K1CYP1A2CYP3A4CYP2D6
SCHEMBL30867213 0.81 CDK2 (0.41) CDK2IP6K1CYP1A2CYP3A4CYP2D6
SCHEMBL30867169 0.76 TRPV1 (0.39) CDK2IP6K1TRPV1MEN1KMT2A
SCHEMBL27319209 0.73 GBA1 (0.43) IP6K1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL30867129 0.73 GBA1 (0.43) IP6K1CYP1A2CYP3A4CYP2D6CYP2C19

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 3 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
CN-119948035-A Compounds useful for modulating AhR signaling 捷豹治疗有限公司 2025-05-06 CN disclosed
WO-2024076300-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2024-04-11 WO disclosed