SCHEMBL31031226

SCHEMBL31031226

Clc1ccnc(Nc2ccc(I)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.48
KCNH2 Q12809 2/20 0.48
SCN5A Q14524 1/20 0.48
MAPK10 P53779 1/20 0.46
GRM4 Q14833 1/20 0.43
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
ROCK1 Q13464 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
EGFR P00533 2/20 0.39
ERBB3 P21860 1/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38

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
SCHEMBL31240706 0.81 SCN9A (0.46) SCN9AKCNH2SCN5AMAPK10GRM4
SCHEMBL3871509 0.81 JAK2 (0.52) SCN9AKCNH2SCN5AMAPK10GRM4
SCHEMBL6157207 0.78 ABCG2 (0.50) SCN9AKCNH2SCN5AMAPK10GSK3B
SCHEMBL31031227 0.77 SCN5A (0.43) SCN9AKCNH2SCN5AMAPK10GRM4
SCHEMBL20074425 0.76 CDK2 (0.60) ROCK1EGFRERBB3CCNA2CDK2
SCHEMBL16926590 0.74 SMARCA2 (0.46) SCN9AKCNH2SCN5AMAPK10GRM4
SCHEMBL31240789 0.72 ABL1 (0.48) MAPK10GRM4HTR3EHTR3BHTR3A
SCHEMBL16926594 0.72 GRM4 (0.54) SCN9AKCNH2SCN5AMAPK10GRM4
SCHEMBL16926547 0.70 MEN1 (0.53) MAPK10GRM4JAK2TYK2NPC1
SCHEMBL16926546 0.69 JAK2 (0.51) GRM4MAPTJAK2TYK2CCNA2

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-4658651-A1 NOVEL COMPOUNDS FOR TAU IMAGING Eli Lilly and Company (US) 2025-12-10 EP disclosed
WO-2024163546-A1 NOVEL COMPOUNDS FOR TAU IMAGING ELI LILLY AND COMPANY (US) 2024-08-08 WO disclosed