SCHEMBL31240538

SCHEMBL31240538

Nc1n[nH]c2ccc(-c3ccnc(NC(=O)Cc4cccc(C(F)(F)F)c4)c3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.52
▸ RIOK2 Q9BVS4 1/20 0.49
▸ NR3C2 P08235 1/20 0.48
▸ KDR P35968 3/20 0.48
▸ PLK4 O00444 1/20 0.48
▸ AURKA O14965 1/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ CHEK2 O96017 1/20 0.48
▸ EGFR P00533 1/20 0.48
▸ NTRK1 P04629 1/20 0.48
▸ LCK P06239 1/20 0.48
▸ FYN P06241 1/20 0.48
▸ CSF1R P07333 1/20 0.48
▸ LYN P07948 1/20 0.48
▸ KIT P10721 1/20 0.48
▸ FLT1 P17948 1/20 0.48
▸ EPHA2 P29317 1/20 0.48
▸ FLT4 P35916 1/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ BLK P51451 1/20 0.48

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
SCHEMBL31240404 0.90 MAPK14 (0.52) DYRK1ARIOK2NR3C2CYP2D6PSEN1
SCHEMBL31240382 0.88 MAPK1 (0.52) DYRK1ANR3C2ROCK2MKNK1MKNK2
SCHEMBL31240445 0.88 WNT3A (0.47) DYRK1ARIOK2KDRPLK4AURKA
SCHEMBL31240493 0.86 WNT3A (0.57) DYRK1ARIOK2MEN1KMT2AWNT3A
SCHEMBL31240463 0.86 PSEN1 (0.54) RIOK2NR3C2KDRPLK4AURKA
SCHEMBL31240399 0.86 JAK2 (0.54) RIOK2KDRPLK4AURKAROCK2
SCHEMBL31240402 0.84 ROCK1 (0.54) RIOK2NR3C2ROCK2WNT3A
SCHEMBL31240240 0.83 MAPK14 (0.55) MEN1KMT2AWNT3A
SCHEMBL31240509 0.83 JAK2 (0.56) DYRK1AMEN1KMT2AWNT3A
SCHEMBL31240675 0.83 WNT3A (0.52) RIOK2KDRPLK4AURKAROCK2

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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