SCHEMBL30323356

SCHEMBL30323356

CC1(C(=O)NNC(=O)c2ncccc2Nc2ccc(C(F)(F)F)cc2)CCNC1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 5/20 0.43
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ AURKA O14965 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ HCRTR1 O43613 7/20 0.38
▸ TRPV1 Q8NER1 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ PDE2A O00408 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
SCHEMBL30323324 1.00 TLR7 (0.43) TLR7JAK2JAK1TYK2JAK3
SCHEMBL23388918 0.87 TLR7 (0.41) TLR7JAK2JAK1TYK2JAK3
SCHEMBL22571385 0.87 RXFP1 (0.43) JAK2JAK1TYK2JAK3AURKA
SCHEMBL23423434 0.85 LMNA (0.46) JAK2JAK1TYK2JAK3TRPV1
SCHEMBL30323387 0.84 AURKA (0.37) JAK2JAK1TYK2JAK3AURKA
SCHEMBL23388810 0.81 RXFP1 (0.42) AURKAAURKBRXFP1
SCHEMBL29888201 0.81 RXFP1 (0.42) AURKAAURKBRXFP1
SCHEMBL23423242 0.80 LMNA (0.45) JAK2JAK1TYK2JAK3TRPV1
SCHEMBL30323327 0.79 JAK2 (0.38) TLR7JAK2JAK1TYK2JAK3
SCHEMBL30323407 0.79 JAK2 (0.37) JAK2JAK1TYK2JAK3AURKA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023049199-A1 AZOLE COMPOUNDS ZENO MANAGEMENT, INC. (US) 2023-03-30 — — WO disclosed
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