SCHEMBL30633384

SCHEMBL30633384

CC(C)(C)c1ccc(NC(=O)Nc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.62
▸ KDR P35968 10/20 0.48
▸ JAK3 P52333 5/20 0.47
▸ DYRK1A Q13627 5/20 0.47
▸ PLK4 O00444 4/20 0.47
▸ ROCK2 O75116 4/20 0.47
▸ MARK2 Q7KZI7 4/20 0.47
▸ AURKB Q96GD4 4/20 0.47
▸ CSNK2A1 P68400 2/20 0.47
▸ LCK P06239 2/20 0.47
▸ FYN P06241 2/20 0.47
▸ CSF1R P07333 2/20 0.47
▸ LYN P07948 2/20 0.47
▸ KIT P10721 2/20 0.47
▸ FLT1 P17948 2/20 0.47
▸ FLT4 P35916 2/20 0.47
▸ FLT3 P36888 2/20 0.47
▸ BLK P51451 2/20 0.47
▸ AURKA O14965 1/20 0.47
▸ CHEK2 O96017 1/20 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
SCHEMBL26685947 1.00 JAK2 (0.62) JAK2KDRJAK3DYRK1APLK4
SCHEMBL30633377 0.89 JAK2 (0.51) JAK2KDRJAK3DYRK1APLK4
SCHEMBL30633403 0.87 JAK2 (0.57) JAK2KDRJAK3DYRK1APLK4
SCHEMBL26686359 0.87 CNR1 (0.61) JAK2KDRJAK3DYRK1APLK4
SCHEMBL30633323 0.87 CNR1 (0.61) JAK2KDRJAK3DYRK1APLK4
SCHEMBL26686115 0.87 JAK2 (0.57) JAK2KDRJAK3DYRK1APLK4
SCHEMBL30633352 0.86 JAK2 (0.56) JAK2KDRJAK3DYRK1APLK4
SCHEMBL26685861 0.86 JAK2 (0.56) JAK2KDRJAK3DYRK1APLK4
SCHEMBL30633331 0.85 JAK2 (0.56) JAK2KDRJAK3DYRK1APLK4
SCHEMBL26686099 0.85 JAK2 (0.56) JAK2KDRJAK3DYRK1APLK4

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 4 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
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 — — EP disclosed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 — — WO disclosed
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