SCHEMBL30323387

SCHEMBL30323387

Cn1nc(C(=O)NNC(=O)[C@]2(C)CCNC2=O)c2c(Nc3ccc(C(F)(F)F)cc3)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 5/20 0.37
▸ AURKB Q96GD4 2/20 0.37
▸ JAK2 O60674 2/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ AKR1C3 P42330 1/20 0.35
▸ BCDIN3D Q7Z5W3 2/20 0.34
▸ NR3C1 P04150 2/20 0.34
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TRPV1 Q8NER1 2/20 0.32
▸ PTGER4 P35408 2/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 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
SCHEMBL30323356 0.84 TLR7 (0.43) AURKAAURKBJAK2JAK1TYK2
SCHEMBL30323324 0.84 TLR7 (0.43) AURKAAURKBJAK2JAK1TYK2
SCHEMBL30323327 0.83 JAK2 (0.38) AURKAJAK2JAK1TYK2JAK3
SCHEMBL22571385 0.81 RXFP1 (0.43) AURKAAURKBJAK2JAK1TYK2
SCHEMBL23388918 0.78 TLR7 (0.41) AURKAAURKBJAK2JAK1TYK2
SCHEMBL30323407 0.78 JAK2 (0.37) AURKAAURKBJAK2JAK1TYK2
SCHEMBL30323335 0.77 JAK2 (0.37) JAK2JAK1TYK2JAK3NR3C1
SCHEMBL29888201 0.76 RXFP1 (0.42) AURKAAURKBAKR1C3MEN1KMT2A
SCHEMBL23388810 0.76 RXFP1 (0.42) AURKAAURKBAKR1C3MEN1KMT2A
SCHEMBL30323394 0.76 AURKA (0.47) AURKAAURKBJAK2JAK3AKR1C3

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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