SCHEMBL31347601

SCHEMBL31347601

CC(=O)Nc1cccc2c(-c3ccnc(Nc4cc(C)n(C)n4)n3)c[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 13/20 0.53
▸ JAK2 O60674 7/20 0.53
▸ TYK2 P29597 1/20 0.49
▸ JAK3 P52333 1/20 0.49
▸ CCNB2 O95067 4/20 0.43
▸ CDK1 P06493 4/20 0.43
▸ RET P07949 4/20 0.43
▸ CCNB1 P14635 4/20 0.43
▸ CCNB3 Q8WWL7 4/20 0.43
▸ EGFR P00533 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ NR3C1 P04150 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ NR3C2 P08235 1/20 0.42
▸ AR P10275 1/20 0.42

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
SCHEMBL31347584 0.86 JAK1 (0.53) JAK1JAK2
SCHEMBL31347577 0.84 JAK1 (0.47) JAK1JAK2
SCHEMBL31347540 0.84 NR3C1 (0.50) JAK1JAK2JAK3NR3C1PGR
SCHEMBL30775417 0.79 FLT3 (0.57) CCNB2CDK1RETCCNB1CCNB3
SCHEMBL31347560 0.77 JAK1 (0.51) JAK1JAK2
SCHEMBL30756867 0.77 JAK1 (0.54) JAK1JAK2
SCHEMBL26987570 0.77 JAK1 (0.54) JAK1JAK2
SCHEMBL26993838 0.73 JAK1 (0.47) JAK1JAK2
SCHEMBL30757116 0.73 JAK1 (0.63) JAK1JAK2
SCHEMBL26987232 0.73 JAK1 (0.63) JAK1JAK2

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-119403798-A Novel compounds as GCN2 inhibitors, pharmaceutical compositions and uses thereof 东亚ST 株式会社 2025-02-07 — — CN disclosed
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