SCHEMBL26686340

SCHEMBL26686340

Nc1n[nH]c2ccc(-c3ccnc(NC(=O)O)c3)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 14/20 0.56
▸ DYRK1A Q13627 3/20 0.47
▸ JAK3 P52333 3/20 0.47
▸ JAK1 P23458 2/20 0.47
▸ PLK4 O00444 2/20 0.47
▸ DAPK3 O43293 2/20 0.47
▸ DYRK3 O43781 2/20 0.47
▸ ROCK2 O75116 2/20 0.47
▸ MAP4K4 O95819 2/20 0.47
▸ CDK1 P06493 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ MARK3 P27448 2/20 0.47
▸ TYK2 P29597 2/20 0.47
▸ CLK2 P49760 2/20 0.47
▸ CDK5 Q00535 2/20 0.47
▸ PRKCD Q05655 2/20 0.47
▸ ROCK1 Q13464 2/20 0.47
▸ PKN2 Q16513 2/20 0.47
▸ MARK2 Q7KZI7 2/20 0.47
▸ AURKB Q96GD4 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
SCHEMBL31240484 0.87 JAK2 (0.63) JAK2DYRK1AJAK1ULK1
SCHEMBL26686431 0.87 JAK2 (0.63) JAK2DYRK1AJAK1ULK1
SCHEMBL26685865 0.86 ULK1 (0.61) JAK2ULK1F11
SCHEMBL31240358 0.86 ULK1 (0.61) JAK2ULK1F11
SCHEMBL26685861 0.86 JAK2 (0.56) JAK2DYRK1AJAK3JAK1PLK4
SCHEMBL30633352 0.86 JAK2 (0.56) JAK2DYRK1AJAK3JAK1PLK4
SCHEMBL26886635 0.85 JAK2 (0.48) JAK2DYRK1AJAK3PLK4DAPK3
SCHEMBL30633127 0.85 JAK2 (0.48) JAK2DYRK1AJAK3PLK4DAPK3
SCHEMBL31240493 0.84 WNT3A (0.57) JAK2DYRK1ACDK1CDK2CLK2
SCHEMBL31240315 0.83 MAPK1 (0.56) JAK2DYRK1AJAK3PLK4DAPK3

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
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 — — WO claimed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 — — WO disclosed
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