SCHEMBL31240395

SCHEMBL31240395

N#Cc1ccc(CNc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.54
▸ JAK2 O60674 6/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KCNH2 Q12809 5/20 0.46
▸ CDC7 O00311 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ CCNE1 P24864 1/20 0.46
▸ DBF4 Q9UBU7 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ HRH4 Q9H3N8 1/20 0.41
▸ PLK4 O00444 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ DYRK3 O43781 1/20 0.40
▸ ROCK2 O75116 1/20 0.40

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
SCHEMBL31240577 0.89 LRRK2 (0.57) LRRK2JAK2KDM4EALDH1A1CYP1A2
SCHEMBL31240411 0.85 CDC7 (0.58) LRRK2JAK2CDC7CDK2CCNE1
SCHEMBL31240732 0.83 JAK2 (0.51) JAK2CDC7CDK2CCNE1DBF4
SCHEMBL31240408 0.83 MAPK14 (0.49) LRRK2JAK2CDC7CDK2CCNE1
SCHEMBL31240273 0.81 JAK2 (0.47) LRRK2JAK2CDC7CDK2CCNE1
SCHEMBL31240462 0.81 JAK2 (0.54) JAK2CDC7CDK2CCNE1DBF4
SCHEMBL31240476 0.80 JAK2 (0.50) LRRK2JAK2CDC7CDK2CCNE1
SCHEMBL26686356 0.79 JAK2 (0.57) LRRK2JAK2CDC7CDK2PLK4
SCHEMBL31240378 0.78 JAK2 (0.51) LRRK2JAK2KDM4ECDC7CDK2
SCHEMBL31240555 0.77 JAK2 (0.55) LRRK2JAK2CDC7CDK2PLK4

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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