SCHEMBL31240507

SCHEMBL31240507

Nc1n[nH]c2ccc(-c3ccnc(NC(=O)CCc4ccccc4)c3)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.50
▸ CCKBR P32239 1/20 0.50
▸ JAK2 O60674 4/20 0.49
▸ GSK3B P49841 2/20 0.48
▸ GSK3A P49840 1/20 0.48
▸ F11 P03951 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ BUB1 O43683 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ WNT3A P56704 1/20 0.45
▸ PIK3C3 Q8NEB9 2/20 0.45
▸ MAPK8 P45983 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ JAK1 P23458 2/20 0.44
▸ NR3C2 P08235 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CDC7 O00311 1/20 0.44

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
SCHEMBL31240493 0.90 WNT3A (0.57) TTKCCKBRJAK2GSK3BF11
SCHEMBL26686121 0.86 MAPK1 (0.51) JAK2F11NPC1RAB9ASMN1; SMN2
SCHEMBL30633290 0.86 MAPK1 (0.51) JAK2F11NPC1RAB9ASMN1; SMN2
SCHEMBL30633307 0.84 MAPK1 (0.59) JAK2F11CDC7CCNE1CDK2
SCHEMBL26685951 0.84 MAPK1 (0.59) JAK2F11CDC7CCNE1CDK2
SCHEMBL31240445 0.83 WNT3A (0.47) TTKJAK2F11RAB9AMAPK14
SCHEMBL26686340 0.82 JAK2 (0.56) JAK2GSK3AF11JAK1CDC7
SCHEMBL31240563 0.82 DYRK1A (0.51) JAK2GSK3BWNT3APIK3C3WNT1
SCHEMBL31240716 0.82 JAK2 (0.54) JAK2GSK3BGSK3AF11MAPK14
SCHEMBL31240484 0.82 JAK2 (0.63) JAK2MAPK8MAPK10JAK1DYRK1A

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
Send feedback