SCHEMBL31331802

SCHEMBL31331802

CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc3nc(-c4ccc(OC(F)(F)F)cc4)c(-c4ccc(C#N)cc4)nc3c2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.46
▸ BTK Q06187 1/20 0.46
▸ RET P07949 3/20 0.44
▸ MAP4K4 O95819 2/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ MET P08581 1/20 0.42
▸ SYK P43405 1/20 0.41
▸ SUV39H2 Q9H5I1 1/20 0.41
▸ AURKA O14965 3/20 0.41
▸ PDPK1 O15530 3/20 0.41
▸ AURKB Q96GD4 3/20 0.41
▸ GPR6 P46095 1/20 0.41
▸ DPP4 P27487 3/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ SMPD3 Q9NY59 1/20 0.40
▸ KDM4D Q6B0I6 1/20 0.39

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
SCHEMBL31331744 0.95 SUV39H2 (0.45) JAK3BTKKDM1AMETSYK
SCHEMBL31331831 0.92 BTK (0.47) JAK3BTKRETMAP4K4MET
SCHEMBL31331669 0.91 JAK3 (0.47) JAK3BTKRETMAP4K4KDM1A
SCHEMBL31331787 0.91 JAK3 (0.48) JAK3BTKRETMAP4K4MET
SCHEMBL31331894 0.90 JAK3 (0.49) JAK3BTKRETMAP4K4MET
SCHEMBL31331798 0.89 JAK3 (0.48) JAK3BTKRETMAP4K4MET
SCHEMBL31331768 0.87 SUV39H2 (0.50) JAK3BTKKDM1AMETSUV39H2
SCHEMBL31331845 0.86 SUV39H2 (0.46) JAK3BTKMETSYKSUV39H2
SCHEMBL31331874 0.86 SUV39H2 (0.47) JAK3BTKMETSYKSUV39H2
SCHEMBL31331898 0.85 SUV39H2 (0.48) JAK3BTKMAP4K4METSYK

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
CN-119285613-A Substituted quinoxaline and quinazolinone compounds and uses thereof 河南中医药大学 2025-01-10 — — CN disclosed
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