SCHEMBL31240622

SCHEMBL31240622

Nc1n[nH]c2ccc(-c3ccnc4[nH]c(-c5ccc(NCc6ccccc6)nc5)cc34)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 11/20 0.48
▸ CLK2 P49760 10/20 0.48
▸ CLK3 P49761 8/20 0.48
▸ CDC7 O00311 3/20 0.47
▸ CDK2 P24941 3/20 0.47
▸ CCNE1 P24864 1/20 0.47
▸ DBF4 Q9UBU7 1/20 0.47
▸ CDK9 P50750 3/20 0.43
▸ JAK2 O60674 4/20 0.42
▸ EGFR P00533 3/20 0.42
▸ JAK3 P52333 3/20 0.41
▸ AURKA O14965 2/20 0.41
▸ MAPK13 O15264 2/20 0.41
▸ DAPK3 O43293 2/20 0.41
▸ ROCK2 O75116 2/20 0.41
▸ CHEK2 O96017 2/20 0.41
▸ PRKCG P05129 2/20 0.41
▸ CDK1 P06493 2/20 0.41
▸ FGFR1 P11362 2/20 0.41
▸ PRKACA P17612 2/20 0.41

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
SCHEMBL31240430 0.90 CDC7 (0.48) DYRK1ACLK2CLK3CDC7CDK2
SCHEMBL31240256 0.84 DYRK1A (0.48) DYRK1ACLK2CLK3CDC7CDK2
SCHEMBL31240405 0.84 CLK2 (0.59) DYRK1ACLK2CLK3JAK2EGFR
SCHEMBL31240570 0.83 DYRK1A (0.48) DYRK1ACLK2CLK3CDC7CDK2
SCHEMBL31240550 0.82 DYRK1A (0.51) DYRK1ACLK2CLK3CDC7CDK2
SCHEMBL31240700 0.82 CLK2 (0.58) DYRK1ACLK2CLK3JAK2JAK3
SCHEMBL31240543 0.81 PRMT5 (0.61) DYRK1ACLK2CLK3
SCHEMBL31240306 0.81 DYRK1A (0.71) DYRK1ACLK2CLK3
SCHEMBL26685836 0.78 MAPK14 (0.52) DYRK1ACLK2CLK3CDC7CDK2
SCHEMBL31240660 0.78 EGFR (0.47) DYRK1ACLK2CDC7CDK2CDK9

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
Send feedback