SCHEMBL30669758

SCHEMBL30669758

C[C@@H](Nc1cc(Cl)ncc1I)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.35
FPR2 P25090 1/20 0.35
SYK P43405 9/20 0.34
SIRT6 Q8N6T7 1/20 0.34
PIK3CA P42336 1/20 0.33
NNMT P40261 1/20 0.32
HPGDS O60760 2/20 0.32
MDM4 O15151 1/20 0.31
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31

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
SCHEMBL21680695 1.00 SCN9A (0.35) SCN9AFPR2SYKSIRT6PIK3CA
SCHEMBL21680693 1.00 SCN9A (0.35) SCN9AFPR2SYKSIRT6PIK3CA
SCHEMBL17374001 0.83 SYK (0.38) SCN9AFPR2SYKSIRT6PIK3CA
SCHEMBL30627275 0.80 KAT2B (0.37)
SCHEMBL15110157 0.80 KAT2B (0.37)
SCHEMBL27039743 0.79 ALDH1A1 (0.41)
SCHEMBL27039744 0.79 ALDH1A1 (0.41)
SCHEMBL31661104 0.79 ALDH1A1 (0.41)
SCHEMBL31291010 0.76 SCN9A (0.39) SCN9AFPR2SYK
SCHEMBL27039419 0.76 SCN9A (0.39) SCN9AFPR2SYK

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-112566915-B Thiadiazole IRAK4 inhibitors 吉利德科学公司 2024-04-09 CN disclosed
CN-112533924-B Pyrrolo [1,2-b ] pyridazine derivatives as IRAK4 inhibitors 吉利德科学公司 2023-11-28 CN disclosed