SCHEMBL30867201

SCHEMBL30867201

FC(F)(F)Oc1ccc2c(CCNc3nc(Cl)nc4scnc34)c[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.43
IP6K1 Q92551 2/20 0.41
TRPV1 Q8NER1 5/20 0.40
GOT1 P17174 1/20 0.37
PTGDR Q13258 1/20 0.37
USP2 O75604 6/20 0.36
CYP1A2 P05177 6/20 0.36
CYP3A4 P08684 6/20 0.36
CYP2D6 P10635 6/20 0.36
CYP2C19 P33261 6/20 0.36
CLK4 Q9HAZ1 5/20 0.36
CYP2C9 P11712 4/20 0.36
TSHR P16473 2/20 0.36
HIF1A Q16665 2/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
IP6K3 Q96PC2 1/20 0.36
IP6K2 Q9UHH9 1/20 0.36
MAPK1 P28482 4/20 0.35
LMNA P02545 3/20 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
SCHEMBL27320098 1.00 CDK2 (0.43) CDK2IP6K1TRPV1GOT1PTGDR
SCHEMBL30867169 0.92 TRPV1 (0.39) CDK2IP6K1TRPV1GOT1PTGDR
SCHEMBL30867174 0.83 CDK2 (0.39) CDK2IP6K1TRPV1PTGDRUSP2
SCHEMBL27320844 0.83 CDK2 (0.39) CDK2IP6K1TRPV1PTGDRUSP2
SCHEMBL29244542 0.82 CDK2 (0.46) CDK2IP6K1TRPV1GOT1PTGDR
SCHEMBL30867213 0.82 CDK2 (0.41) CDK2IP6K1TRPV1GOT1PTGDR
SCHEMBL30867135 0.82 HTT (0.49) IP6K1USP2MAPK1LMNAALOX15
SCHEMBL30867137 0.82 HTT (0.49) IP6K1USP2MAPK1LMNAALOX15
SCHEMBL27318656 0.82 HTT (0.49) IP6K1USP2MAPK1LMNAALOX15
SCHEMBL30867150 0.82 HTR2A (0.54) USP2CYP1A2CYP3A4CYP2D6CYP2C19

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