SCHEMBL31420129

SCHEMBL31420129

Nc1n[nH]c2ccc(-c3ccnc(NCCCO)c3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 10/20 0.52
▸ MAPK14 Q16539 2/20 0.45
▸ KDM4D Q6B0I6 1/20 0.45
▸ NUDT1 P36639 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.45
▸ MAP4K4 O95819 4/20 0.44
▸ PDPK1 O15530 1/20 0.43
▸ CDK1 P06493 3/20 0.43
▸ ROCK2 O75116 3/20 0.43
▸ ROCK1 Q13464 3/20 0.43
▸ PLK4 O00444 2/20 0.43
▸ DAPK3 O43293 2/20 0.43
▸ DYRK3 O43781 2/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ MARK3 P27448 2/20 0.43
▸ TYK2 P29597 2/20 0.43
▸ CLK2 P49760 2/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ CDK5 Q00535 2/20 0.43
▸ PRKCD Q05655 2/20 0.43

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
SCHEMBL26686087 1.00 JAK2 (0.52) JAK2MAPK14KDM4DNUDT1LRRK2
SCHEMBL31240448 0.96 JAK2 (0.51) JAK2MAPK14KDM4DNUDT1LRRK2
SCHEMBL26686112 0.96 JAK2 (0.51) JAK2MAPK14KDM4DNUDT1LRRK2
SCHEMBL31240693 0.95 JAK2 (0.50) JAK2MAPK14KDM4DNUDT1LRRK2
SCHEMBL26685988 0.95 JAK2 (0.50) JAK2MAPK14KDM4DNUDT1LRRK2
SCHEMBL31240555 0.93 JAK2 (0.55) JAK2MAPK14LRRK2MAP4K4PDPK1
SCHEMBL26685748 0.93 JAK2 (0.55) JAK2MAPK14LRRK2MAP4K4PDPK1
SCHEMBL30633170 0.87 JAK2 (0.51) JAK2LRRK2MAP4K4PDPK1CDK1
SCHEMBL26886607 0.87 JAK2 (0.51) JAK2LRRK2MAP4K4PDPK1CDK1
SCHEMBL26686269 0.86 JAK2 (0.50) JAK2LRRK2MAP4K4PDPK1CDK1

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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