SCHEMBL31240451

SCHEMBL31240451

COc1cc(F)cc(-c2cc3c(-c4ccc5[nH]nc(N)c5c4)ccnc3[nH]2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.50
▸ MAPK14 Q16539 3/20 0.48
▸ CLK2 P49760 7/20 0.46
▸ DYRK1A Q13627 7/20 0.46
▸ CLK3 P49761 6/20 0.46
▸ WNT1 P04628 5/20 0.42
▸ TBK1 Q9UHD2 1/20 0.42
▸ CCNB2 O95067 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ CCNB3 Q8WWL7 1/20 0.41
▸ EGFR P00533 2/20 0.41
▸ CHUK O15111 1/20 0.39
▸ INSR P06213 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ CAMKK2 Q96RR4 1/20 0.39

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
SCHEMBL31240284 0.91 CLK2 (0.43) FYNMAPK14CLK2DYRK1ACLK3
SCHEMBL31240498 0.90 CLK2 (0.52) MAPK14CLK2DYRK1ACLK3WNT1
SCHEMBL31240417 0.86 CCNB2 (0.53) FYNMAPK14CLK2DYRK1ACLK3
SCHEMBL31240471 0.86 PRMT5 (0.48) MAPK14CLK2DYRK1ACLK3WNT1
SCHEMBL31240312 0.85 CLK2 (0.53) FYNCLK2DYRK1ACLK3
SCHEMBL31240580 0.85 CLK2 (0.50) MAPK14CLK2DYRK1ACLK3WNT1
SCHEMBL31240700 0.83 CLK2 (0.58) CLK2DYRK1ACLK3TBK1
SCHEMBL31240412 0.83 CLK2 (0.51) MAPK14CLK2DYRK1ACLK3WNT1
SCHEMBL18441612 0.82 CLK2 (0.63) MAPK14CLK2DYRK1ACLK3WNT1
SCHEMBL18441871 0.82 CLK2 (0.68) CLK2DYRK1ACLK3WNT1

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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