SCHEMBL30104024

SCHEMBL30104024

Nc1cc(I)cc(-n2cccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
G6PD P11413 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.39
TDO2 P48775 1/20 0.38
ADORA2A P29274 6/20 0.36
ADORA1 P30542 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
NLRP3 Q96P20 4/20 0.35
MPO P05164 2/20 0.33
PDK2 Q15119 1/20 0.32

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
SCHEMBL23702605 1.00 NOTUM (0.42) NOTUMKDM4EALDH1A1LMNAMAPT
SCHEMBL14955783 0.87 NOTUM (0.48) NOTUMKDM4EALDH1A1LMNAMAPT
SCHEMBL15652439 0.79 NOTUM (0.42) NOTUMKDM4EALDH1A1LMNAMAPT
SCHEMBL221069 0.79 ADORA2A (0.42) NOTUMKDM4EALDH1A1LMNAMAPT
SCHEMBL387290 0.79 MAPT (0.47) NOTUMKDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL11484961 0.77 MAPT (0.46) NOTUMKDM4EALDH1A1LMNAMAPT
SCHEMBL14955628 0.75 ALDH1A1 (0.40) NOTUMKDM4EALDH1A1LMNAMAPT
SCHEMBL30880520 0.75 KAT6A (0.46) NOTUMKDM4EALDH1A1MAPTMAPK1
SCHEMBL12012868 0.75 NR2E1 (0.46) NOTUMKDM4EALDH1A1LMNAMAPT
SCHEMBL3400745 0.74 NOTUM (0.48) NOTUMKDM4EALDH1A1LMNAMAPT

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
CN-115698020-B Macrocyclic RIP 2-kinase inhibitors 昂科迪塞恩精密医药公司(OPM) 2025-02-25 CN disclosed
EP-4097110-A1 MACROCYCLIC RIP2-KINASE INHIBITORS Oncodesign S.A. (FR) 2022-12-07 EP disclosed