SCHEMBL30323407

SCHEMBL30323407

Cn1ccc(Nc2ccc(C(F)(F)F)cc2)c(C(=O)NNC(=O)[C@]2(C)CCNC2=O)c1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ SLC11A2 P49281 1/20 0.34
▸ PLD2 O14939 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ HSPA9 P38646 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ EPHX2 P34913 2/20 0.31
▸ FLT1 P17948 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ PIM1 P11309 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
SCHEMBL22571385 0.82 RXFP1 (0.43) JAK2JAK1TYK2JAK3AURKA
SCHEMBL30323324 0.79 TLR7 (0.43) JAK2JAK1TYK2JAK3TRPV1
SCHEMBL30323356 0.79 TLR7 (0.43) JAK2JAK1TYK2JAK3TRPV1
SCHEMBL30323387 0.78 AURKA (0.37) JAK2JAK1TYK2JAK3TRPV1
SCHEMBL30323327 0.77 JAK2 (0.38) JAK2JAK1TYK2JAK3PLD2
SCHEMBL23388810 0.77 RXFP1 (0.42) AURKAAURKBAKR1C3AKR1C2EPHX2
SCHEMBL29888201 0.77 RXFP1 (0.42) AURKAAURKBAKR1C3AKR1C2EPHX2
SCHEMBL23388918 0.77 TLR7 (0.41) JAK2JAK1TYK2JAK3HSPA9
SCHEMBL30323446 0.76 BRD4 (0.38) JAK2JAK1TYK2JAK3CCR5
SCHEMBL23423434 0.75 LMNA (0.46) JAK2JAK1TYK2JAK3TRPV1

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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