SCHEMBL31331894

SCHEMBL31331894

Cc1ccc(-c2nc3ccc(N4CCC[C@H](NC(=O)OC(C)(C)C)C4)cc3nc2-c2ccc(C#N)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.49
▸ BTK Q06187 1/20 0.49
▸ MAP4K4 O95819 2/20 0.46
▸ RET P07949 3/20 0.45
▸ MET P08581 1/20 0.44
▸ SYK P43405 1/20 0.43
▸ DPP4 P27487 3/20 0.43
▸ SUV39H2 Q9H5I1 2/20 0.43
▸ AURKA O14965 3/20 0.43
▸ PDPK1 O15530 3/20 0.43
▸ AURKB Q96GD4 3/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ KDM4D Q6B0I6 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41

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
SCHEMBL31331898 0.95 SUV39H2 (0.48) JAK3BTKMAP4K4METSYK
SCHEMBL31331931 0.95 SUV39H2 (0.48) JAK3BTKMAP4K4METSYK
SCHEMBL31331787 0.93 JAK3 (0.48) JAK3BTKMAP4K4RETMET
SCHEMBL31331798 0.93 JAK3 (0.48) JAK3BTKMAP4K4RETMET
SCHEMBL31331831 0.92 BTK (0.47) JAK3BTKMAP4K4RETMET
SCHEMBL31331669 0.92 JAK3 (0.47) JAK3BTKMAP4K4RETMET
SCHEMBL31331802 0.90 JAK3 (0.46) JAK3BTKMAP4K4RETMET
SCHEMBL31331751 0.88 SUV39H2 (0.47) JAK3BTKMETSYKSUV39H2
SCHEMBL31331874 0.88 SUV39H2 (0.47) JAK3BTKMETSYKDPP4
SCHEMBL31331768 0.87 SUV39H2 (0.50) 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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