SCHEMBL31240468

SCHEMBL31240468

Nc1n[nH]c2c(Cl)cc(-c3ccnc4[nH]c(CN5CCOCC5)cc34)cc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 4/20 0.52
▸ CDK12 Q9NYV4 4/20 0.52
▸ JAK2 O60674 1/20 0.45
▸ CAMKK2 Q96RR4 7/20 0.44
▸ CHUK O15111 6/20 0.44
▸ MAPK8 P45983 6/20 0.44
▸ INSR P06213 3/20 0.42
▸ TBK1 Q9UHD2 3/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ PIK3C3 Q8NEB9 1/20 0.39
▸ CSF1R P07333 1/20 0.38
▸ NUDT1 P36639 1/20 0.37

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
SCHEMBL26686752 1.00 CCNK (0.52) CCNKCDK12JAK2CAMKK2CHUK
SCHEMBL26686734 0.91 CCNK (0.44) CCNKCDK12JAK2CAMKK2CHUK
SCHEMBL31240470 0.88 CAMKK2 (0.55) JAK2CAMKK2CHUKMAPK8INSR
SCHEMBL31240591 0.85 TBK1 (0.53) JAK2CAMKK2CHUKMAPK8INSR
SCHEMBL26686381 0.84 JAK2 (0.60) CCNKCDK12JAK2CAMKK2CHUK
SCHEMBL30633292 0.83 CCNK (0.46) CCNKCDK12JAK2CAMKK2CHUK
SCHEMBL26686550 0.83 CCNK (0.46) CCNKCDK12JAK2CAMKK2CHUK
SCHEMBL31240566 0.77 NUDT1 (0.39) CCNKCDK12JAK2CHUKCDK1
SCHEMBL26686645 0.77 NUDT1 (0.39) CCNKCDK12JAK2CHUKCDK1
SCHEMBL26686575 0.77 CCNK (0.58) CCNKCDK12CAMKK2CHUKMAPK8

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 5 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
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN disclosed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 — — WO disclosed
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