SCHEMBL30323446

SCHEMBL30323446

C[C@@]1(C(=O)NNC(=O)c2c(Nc3ccc(C(F)(F)F)cc3)nn3c2CCC3)CCNC1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.38
▸ CREBBP Q92793 2/20 0.38
▸ JAK2 O60674 8/20 0.37
▸ JAK1 P23458 8/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ DHODH Q02127 2/20 0.33
▸ CCR5 P51681 2/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ BCDIN3D Q7Z5W3 1/20 0.31
▸ RET P07949 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
SCHEMBL30323335 0.87 JAK2 (0.37) BRD4CREBBPJAK2JAK1TYK2
SCHEMBL23388918 0.78 TLR7 (0.41) JAK2JAK1TYK2JAK3DHODH
SCHEMBL23423434 0.77 LMNA (0.46) JAK2JAK1TYK2JAK3DHODH
SCHEMBL30323328 0.76 BRD4 (0.45) BRD4CREBBPJAK2JAK1TYK2
SCHEMBL30323407 0.76 JAK2 (0.37) JAK2JAK1TYK2JAK3CCR5
SCHEMBL30323327 0.75 JAK2 (0.38) BRD4CREBBPJAK2JAK1TYK2
SCHEMBL30323467 0.74 BRD4 (0.45) BRD4CREBBPJAK2JAK1DHODH
SCHEMBL22571385 0.74 RXFP1 (0.43) JAK2JAK1TYK2JAK3EPHX2
SCHEMBL23423242 0.74 LMNA (0.45) JAK2JAK1TYK2JAK3DHODH
SCHEMBL30323356 0.73 TLR7 (0.43) JAK2JAK1TYK2JAK3

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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