SCHEMBL31331798

SCHEMBL31331798

CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc3nc(-c4ccncc4)c(-c4ccc(C#N)cc4)nc3c2)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.48
▸ BTK Q06187 1/20 0.48
▸ MAP4K4 O95819 2/20 0.46
▸ MET P08581 1/20 0.45
▸ RET P07949 3/20 0.44
▸ SUV39H2 Q9H5I1 2/20 0.43
▸ AURKA O14965 3/20 0.43
▸ PDPK1 O15530 3/20 0.43
▸ AURKB Q96GD4 3/20 0.43
▸ PDE10A Q9Y233 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ SYK P43405 1/20 0.41
▸ DPP4 P27487 3/20 0.41
▸ KDM4D Q6B0I6 2/20 0.41
▸ KDM6A O15550 1/20 0.40

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
SCHEMBL31331751 0.95 SUV39H2 (0.47) JAK3BTKMETSUV39H2PDE10A
SCHEMBL31331894 0.93 JAK3 (0.49) JAK3BTKMAP4K4METRET
SCHEMBL31331669 0.92 JAK3 (0.47) JAK3BTKMAP4K4METRET
SCHEMBL31331787 0.92 JAK3 (0.48) JAK3BTKMAP4K4METRET
SCHEMBL31331831 0.92 BTK (0.47) JAK3BTKMAP4K4METRET
SCHEMBL31331802 0.89 JAK3 (0.46) JAK3BTKMAP4K4METRET
SCHEMBL31331931 0.88 SUV39H2 (0.48) JAK3BTKMAP4K4METSUV39H2
SCHEMBL31331898 0.88 SUV39H2 (0.48) JAK3BTKMAP4K4METSUV39H2
SCHEMBL31331845 0.88 SUV39H2 (0.46) JAK3BTKMETSUV39H2DRD2
SCHEMBL31331874 0.87 SUV39H2 (0.47) JAK3BTKMETSUV39H2DRD2

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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