SCHEMBL31347577

SCHEMBL31347577

CCc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(NC(C)=O)cccc12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 17/20 0.47
▸ JAK2 O60674 15/20 0.47
▸ CCNT1 O60563 1/20 0.44
▸ CCNK O75909 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ CDK12 Q9NYV4 1/20 0.44

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 0.91 JAK1 (0.53) JAK1JAK2
SCHEMBL31347540 0.88 NR3C1 (0.50) JAK1JAK2
SCHEMBL31347601 0.84 JAK1 (0.53) JAK1JAK2
SCHEMBL31347560 0.83 JAK1 (0.51) JAK1JAK2
SCHEMBL30756867 0.83 JAK1 (0.54) JAK1JAK2
SCHEMBL26987570 0.83 JAK1 (0.54) JAK1JAK2
SCHEMBL26993923 0.80 JAK1 (0.63) JAK1JAK2
SCHEMBL26993838 0.79 JAK1 (0.47) JAK1JAK2
SCHEMBL30757215 0.78 JAK1 (0.60) JAK1JAK2
SCHEMBL26993850 0.78 JAK1 (0.60) 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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