SCHEMBL31240600

SCHEMBL31240600

Nc1n[nH]c2ccc(-c3ccnc(NC(=O)Cc4ccccn4)c3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.52
▸ JAK2 O60674 7/20 0.46
▸ WNT3A P56704 1/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ DYRK1A Q13627 2/20 0.43
▸ WNT1 P04628 1/20 0.43
▸ F11 P03951 1/20 0.42
▸ JAK1 P23458 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ RAB9A P51151 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
SCHEMBL31240493 0.88 WNT3A (0.57) TTKJAK2WNT3ADYRK1AWNT1
SCHEMBL30633337 0.86 MAPK1 (0.60) MAPK1RAB9AKDM4EMAPK10HSD17B10
SCHEMBL26686503 0.86 MAPK1 (0.60) MAPK1RAB9AKDM4EMAPK10HSD17B10
SCHEMBL31240251 0.84 MAPK1 (0.49) JAK2WNT3AMAPK1DYRK1AMEN1
SCHEMBL31240293 0.84 CDK1 (0.49) JAK2WNT3AMAPK1F11JAK1
SCHEMBL31240532 0.84 TTK (0.51) TTKJAK2WNT3AMAPK1MEN1
SCHEMBL31240509 0.83 JAK2 (0.56) TTKJAK2WNT3ADYRK1AWNT1
SCHEMBL31240675 0.83 WNT3A (0.52) JAK2WNT3AMEN1KMT2ASLC6A2
SCHEMBL31240445 0.83 WNT3A (0.47) TTKJAK2WNT3AMAPK1DYRK1A
SCHEMBL31240378 0.82 JAK2 (0.51) JAK2MAPK1DYRK1AJAK1GSK3A

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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