SCHEMBL31240731

SCHEMBL31240731

Fc1cc(-c2cc3c(-c4ccc5[nH]ncc5c4)ccnc3[nH]2)cc(F)c1CCCN1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.44
▸ ROCK1 Q13464 2/20 0.44
▸ CDC42BPB Q9Y5S2 1/20 0.44
▸ DYRK1A Q13627 4/20 0.41
▸ CLK2 P49760 3/20 0.41
▸ AURKA O14965 2/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ MARK3 P27448 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ RPS6KA3 P51812 1/20 0.39
▸ LIMK1 P53667 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ TBK1 Q9UHD2 2/20 0.39
▸ EGFR P00533 2/20 0.39
▸ MAP3K11 Q16584 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
SCHEMBL31240391 0.85 DYRK1A (0.42) DYRK1ACLK2TBK1CLK3CCNT1
SCHEMBL31240455 0.82 TGFBR1 (0.39) DYRK1ACLK2AURKAEGFRCLK3
SCHEMBL31240393 0.81 CCNT1 (0.38) ROCK2DYRK1ACLK2AURKAPRKACA
SCHEMBL31240766 0.79 AURKA (0.47) DYRK1ACLK2AURKATBK1EGFR
SCHEMBL31240548 0.77 TBK1 (0.46) DYRK1ACDK1CDK2TBK1CDK9
SCHEMBL31240449 0.77 CCNT1 (0.39) ROCK2DYRK1ACLK2AURKAPRKACA
SCHEMBL31240258 0.75 DYRK1A (0.44) DYRK1ACLK2TBK1CLK3
SCHEMBL31240575 0.74 MAP3K11 (0.41) ROCK2ROCK1CDC42BPBDYRK1ACLK2
SCHEMBL31240648 0.69 TRPA1 (0.41) DYRK1ACLK2CDK2GSK3BCDK5
SCHEMBL26686672 0.69 DYRK1A (0.42) DYRK1ACLK2GSK3BTNIKCLK3

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 2 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 disclosed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 — — WO disclosed
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