SCHEMBL31240718

SCHEMBL31240718

O=C(Cc1ccccc1Cl)Nc1cc(Br)ccn1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RIOK2 Q9BVS4 2/20 0.60
▸ KCNJ5 P48544 3/20 0.51
▸ KCNJ3 P48549 3/20 0.51
▸ ANO1 Q5XXA6 6/20 0.51
▸ NTRK1 P04629 1/20 0.48
▸ BACE1 P56817 2/20 0.48
▸ GSK3A P49840 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ MAPK8 P45983 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KCNJ6 P48051 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL27926052 0.86 RIOK2 (0.63) RIOK2ANO1GSK3AMAPK10MAPK8
SCHEMBL1553776 0.81 RIOK2 (0.74) RIOK2GSK3AMAPK10MAPK8NPC1
SCHEMBL16879381 0.80 MEN1 (0.64) KCNJ5KCNJ3NPC1RAB9AALDH1A1
SCHEMBL30368230 0.79 JAK2 (0.62) KCNJ5KCNJ3ANO1KCNJ6
SCHEMBL31240687 0.78 RIOK2 (0.67) RIOK2GSK3AMAPK10NPC1RAB9A
SCHEMBL31240655 0.78 RIOK2 (0.66) RIOK2ANO1NTRK1GSK3AMAPK10
SCHEMBL16620799 0.77 RIOK2 (0.57) RIOK2NTRK1GSK3AMAPK10NPC1
SCHEMBL30226568 0.77 RIOK2 (0.57) RIOK2NTRK1GSK3AMAPK10NPC1
SCHEMBL31729852 0.77 KCNJ5 (0.74) KCNJ5KCNJ3ANO1KCNJ6ALDH1A1
SCHEMBL31240723 0.75 RIOK2 (0.66) RIOK2GSK3AMAPK10MAPK8NPC1

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
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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