SCHEMBL31240648

SCHEMBL31240648

Fc1cc(-c2cc3c(-c4ccc5[nH]ncc5c4)ccnc3[nH]2)cc(CNc2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.41
▸ MAPK14 Q16539 8/20 0.41
▸ EGFR P00533 8/20 0.41
▸ TGFBR1 P36897 3/20 0.41
▸ CCNK O75909 1/20 0.40
▸ CDK12 Q9NYV4 1/20 0.40
▸ CLK2 P49760 4/20 0.39
▸ DYRK1A Q13627 4/20 0.39
▸ CLK1 P49759 3/20 0.39
▸ CLK4 Q9HAZ1 3/20 0.39
▸ DYRK1B Q9Y463 3/20 0.39
▸ CLK3 P49761 3/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ DYRK3 O43781 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ DYRK2 Q92630 1/20 0.38
▸ TRPM8 Q7Z2W7 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
SCHEMBL31240560 0.85 CLK2 (0.44) MAPK14EGFRCLK2DYRK1ACLK3
SCHEMBL31240575 0.80 MAP3K11 (0.41) EGFRCCNKCDK12CLK2DYRK1A
SCHEMBL31240636 0.79 CDK9 (0.40) MAPK14EGFR
SCHEMBL31240766 0.74 AURKA (0.47) TRPA1EGFRTGFBR1CCNKCDK12
SCHEMBL31240724 0.72 CDC7 (0.49) TRPA1MAPK14EGFRCLK2DYRK1A
SCHEMBL31240389 0.71 CLK2 (0.42) EGFRCLK2DYRK1ACLK3
SCHEMBL31240393 0.71 CCNT1 (0.38) TRPA1TGFBR1CCNKCDK12CLK2
SCHEMBL31240449 0.70 CCNT1 (0.39) TRPA1TGFBR1CCNKCDK12CLK2
SCHEMBL31240455 0.70 TGFBR1 (0.39) TRPA1EGFRTGFBR1CCNKCDK12
SCHEMBL31240412 0.69 CLK2 (0.51) MAPK14EGFRCLK2DYRK1ACLK3

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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