SCHEMBL31240275

SCHEMBL31240275

COc1ccc(CCNc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.47
▸ ABL1 P00519 1/20 0.46
▸ RIN1 Q13671 1/20 0.46
▸ JAK2 O60674 3/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PTGDR Q13258 4/20 0.44
▸ ROCK1 Q13464 3/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ PRKAG1 P54619 1/20 0.44
▸ PRKAA1 Q13131 1/20 0.44
▸ PRKAB1 Q9Y478 1/20 0.44
▸ MAP4K4 O95819 1/20 0.41
▸ MAPK13 O15264 1/20 0.41

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
SCHEMBL31240447 0.86 JAK2 (0.48) LRRK2JAK2ROCK1MKNK2MAP4K4
SCHEMBL31240674 0.86 JAK2 (0.48) LRRK2JAK2SMN1; SMN2ROCK1MKNK2
SCHEMBL31240368 0.86 JAK2 (0.48) LRRK2ABL1JAK2ROCK1MKNK2
SCHEMBL31240406 0.86 JAK2 (0.60) LRRK2JAK2ROCK1MKNK1MKNK2
SCHEMBL31240716 0.86 JAK2 (0.54) LRRK2JAK2ROCK1MKNK1MKNK2
SCHEMBL31240440 0.86 JAK2 (0.45) LRRK2JAK2ROCK1MKNK2MAP4K4
SCHEMBL31240422 0.83 JAK2 (0.49) JAK2ROCK1MKNK2MAP4K4MAPK12
SCHEMBL26685856 0.83 LRRK2 (0.67) LRRK2JAK2ROCK1MKNK2MAP4K4
SCHEMBL31240477 0.82 JAK2 (0.50) LRRK2JAK2ROCK1MKNK2PRKAG1
SCHEMBL31240363 0.82 ROCK2 (0.52) LRRK2JAK2CYP1A2CYP3A4CYP2D6

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
EP-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 — — EP claimed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 — — WO claimed
EP-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 — — EP disclosed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 — — WO disclosed
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