SCHEMBL31240575

SCHEMBL31240575

Fc1cc(-c2cc3c(-c4ccc5[nH]ncc5c4)ccnc3[nH]2)cc(CN2CCNCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 2/20 0.41
▸ TNIK Q9UKE5 1/20 0.41
▸ ROCK2 O75116 5/20 0.41
▸ ROCK1 Q13464 5/20 0.41
▸ CDC7 O00311 2/20 0.41
▸ CDC42BPB Q9Y5S2 1/20 0.41
▸ CDK1 P06493 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ AURKA O14965 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ MARK3 P27448 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ RPS6KA3 P51812 1/20 0.40
▸ LIMK1 P53667 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ PKN2 Q16513 2/20 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
SCHEMBL31240380 0.86 CLK2 (0.41) MAP3K11CDC7CDK1CDK2DYRK1A
SCHEMBL31240648 0.80 TRPA1 (0.41) CDK2DYRK1AGSK3BCDK5CCNK
SCHEMBL31240722 0.79 CDK9 (0.56) CDC7CDK1CDK2CCNKCDK12
SCHEMBL31240291 0.78 DYRK1A (0.43) DYRK1ATBK1CSNK1DCLK2CLK3
SCHEMBL31240749 0.78 DYRK1A (0.44) MAP3K11CDK1CDK2DYRK1ACCNK
SCHEMBL31240676 0.78 CDK9 (0.39) CDC7CDK1CDK2DYRK1ACCNK
SCHEMBL31240731 0.74 ROCK2 (0.44) MAP3K11TNIKROCK2ROCK1CDC42BPB
SCHEMBL31240766 0.73 AURKA (0.47) DYRK1AAURKACCNKCDK12TBK1
SCHEMBL31240393 0.70 CCNT1 (0.38) ROCK2CDC7CDK2DYRK1AAURKA
SCHEMBL31240412 0.67 CLK2 (0.51) DYRK1AEGFRCLK2CLK3

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