SCHEMBL31240548

SCHEMBL31240548

Nc1n[nH]c2ccc(-c3ccnc4[nH]c(-c5cc(F)c(CCCN6CCOCC6)c(F)c5)cc34)cc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 7/20 0.46
▸ JAK2 O60674 1/20 0.45
▸ WNT1 P04628 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ CAMKK2 Q96RR4 10/20 0.44
▸ MAPK8 P45983 9/20 0.44
▸ CHUK O15111 8/20 0.44
▸ INSR P06213 6/20 0.44
▸ CDK1 P06493 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ CASP7 P55210 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
SCHEMBL31240391 0.92 DYRK1A (0.42) TBK1WNT1DYRK1ACDK9
SCHEMBL26686172 0.85 JAK2 (0.51) TBK1JAK2WNT1DYRK1ACAMKK2
SCHEMBL31240258 0.82 DYRK1A (0.44) TBK1JAK2WNT1DYRK1A
SCHEMBL31240247 0.81 JAK2 (0.67) TBK1JAK2CAMKK2MAPK8CHUK
SCHEMBL26686058 0.81 JAK2 (0.53) TBK1JAK2WNT1DYRK1ACAMKK2
SCHEMBL31240333 0.81 JAK2 (0.46) TBK1JAK2WNT1DYRK1ACAMKK2
SCHEMBL31240352 0.79 TBK1 (0.61) TBK1JAK2DYRK1ACAMKK2MAPK8
SCHEMBL31240546 0.79 CAMKK2 (0.54) TBK1JAK2WNT1DYRK1ACAMKK2
SCHEMBL31240485 0.79 TBK1 (0.54) TBK1JAK2
SCHEMBL31240369 0.78 CHUK (0.47) TBK1JAK2WNT1DYRK1ACAMKK2

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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