SCHEMBL31240455

SCHEMBL31240455

CCN(CC)CCCc1c(F)cc(-c2cc3c(-c4ccc5[nH]ncc5c4)ccnc3[nH]2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.39
▸ TRPA1 O75762 4/20 0.39
▸ PIK3CA P42336 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ CCNK O75909 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37
▸ WNT1 P04628 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ CLK2 P49760 3/20 0.36
▸ DYRK1A Q13627 3/20 0.36
▸ CLK3 P49761 2/20 0.36
▸ AURKA O14965 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ INCENP Q9NQS7 1/20 0.36
▸ TPX2 Q9ULW0 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ CCNT1 O60563 4/20 0.36
▸ CDK9 P50750 4/20 0.36

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
SCHEMBL31240393 0.94 CCNT1 (0.38) TGFBR1TRPA1PIK3CAFGFR3CCNK
SCHEMBL31240449 0.88 CCNT1 (0.39) TGFBR1TRPA1PIK3CAFGFR3CCNK
SCHEMBL31240766 0.84 AURKA (0.47) TGFBR1TRPA1PIK3CAFGFR3CCNK
SCHEMBL31240731 0.82 ROCK2 (0.44) TRPA1PIK3CACLK2DYRK1ACLK3
SCHEMBL31240632 0.75 CLK2 (0.41) WNT1CLK2DYRK1ACLK3AURKA
SCHEMBL31240583 0.73 CLK2 (0.42) WNT1CLK2DYRK1ACLK3AURKA
SCHEMBL31240648 0.70 TRPA1 (0.41) TGFBR1TRPA1PIK3CACCNKCDK12
SCHEMBL31240575 0.69 MAP3K11 (0.41) PIK3CACCNKCDK12CLK2DYRK1A
SCHEMBL31240369 0.68 CHUK (0.47) WNT1CLK2DYRK1ACLK3AURKA
SCHEMBL31240759 0.65 CDK9 (0.40) AURKAAURKBINCENPTPX2EGFR

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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