SCHEMBL31420124

SCHEMBL31420124

Nc1n[nH]c2ccc(-c3ccnc(NC(=O)Nc4cccc(C(=O)Nc5ccccc5)c4)c3)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.61
▸ JAK1 P23458 5/20 0.61
▸ ULK1 O75385 1/20 0.55
▸ CYP3A4 P08684 1/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ KIT P10721 3/20 0.48
▸ FLT3 P36888 3/20 0.48
▸ BRAF P15056 1/20 0.48
▸ KDR P35968 4/20 0.47
▸ AURKA O14965 3/20 0.47
▸ PLK4 O00444 2/20 0.47
▸ ROCK2 O75116 2/20 0.47
▸ CHEK2 O96017 2/20 0.47
▸ NTRK1 P04629 2/20 0.47
▸ LCK P06239 2/20 0.47
▸ CSF1R P07333 2/20 0.47
▸ LYN P07948 2/20 0.47
▸ FLT1 P17948 2/20 0.47
▸ FLT4 P35916 2/20 0.47
▸ BLK P51451 2/20 0.47

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
SCHEMBL26686370 1.00 JAK2 (0.61) JAK2JAK1ULK1CYP3A4MAPK1
SCHEMBL26685861 0.91 JAK2 (0.56) JAK2JAK1MAPK1KITFLT3
SCHEMBL30633352 0.91 JAK2 (0.56) JAK2JAK1MAPK1KITFLT3
SCHEMBL26685726 0.90 JAK2 (0.48) JAK2JAK1ULK1MAPK1KIT
SCHEMBL31420120 0.90 JAK2 (0.48) JAK2JAK1ULK1MAPK1KIT
SCHEMBL31240407 0.89 JAK2 (0.63) JAK2JAK1ULK1KITFLT3
SCHEMBL31240484 0.86 JAK2 (0.63) JAK2JAK1ULK1KITFLT3
SCHEMBL26686431 0.86 JAK2 (0.63) JAK2JAK1ULK1KITFLT3
SCHEMBL30633362 0.86 JAK2 (0.53) JAK2JAK1MAPK1KITFLT3
SCHEMBL30633357 0.85 FLT1 (0.47) JAK2JAK1MAPK1KITFLT3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN claimed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN disclosed
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