SCHEMBL31240506

SCHEMBL31240506

Nc1n[nH]c2ccc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 8/20 0.48
▸ BCR P11274 8/20 0.48
▸ JAK2 O60674 3/20 0.47
▸ GSK3B P49841 4/20 0.46
▸ KCNH2 Q12809 1/20 0.45
▸ SCN5A Q14524 1/20 0.45
▸ SCN9A Q15858 1/20 0.45
▸ SMO Q99835 1/20 0.44
▸ LRRK2 Q5S007 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ CDC7 O00311 1/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ DYRK3 O43781 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ ROS1 P08922 1/20 0.43
▸ CDK2 P24941 1/20 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
SCHEMBL31240477 0.86 JAK2 (0.50) JAK2LRRK2MAPK10CDC7PLK4
SCHEMBL31240283 0.84 MAPK10 (0.63) JAK2LRRK2MAPK10CDC7PLK4
SCHEMBL12907183 0.83 JAK2 (0.60) JAK2GSK3BSCN5ASCN9ACDC7
SCHEMBL31240426 0.82 JAK2 (0.48) JAK2GSK3BLRRK2MAPK10CDC7
SCHEMBL31240348 0.82 JAK2 (0.53) JAK2LRRK2MAPK10CDC7PLK4
SCHEMBL31240396 0.82 JAK2 (0.53) JAK2KCNH2SCN5ASCN9ALRRK2
SCHEMBL31240265 0.82 JAK2 (0.61) JAK2GSK3BLRRK2MAPK10CDC7
SCHEMBL31240314 0.82 JAK2 (0.68) JAK2LRRK2MAPK10CDC7PLK4
SCHEMBL4325626 0.78 MAPK10 (0.68) ABL1BCRGSK3BMAPK10
SCHEMBL31240598 0.78 JAK2 (0.51) JAK2LRRK2MAPK10CDC7PLK4

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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