SCHEMBL31240389

SCHEMBL31240389

CC(C)(C)NCc1cc(-c2cc3c(-c4ccc5[nH]nc(N)c5c4)ccnc3[nH]2)cc(F)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 12/20 0.42
▸ DYRK1A Q13627 12/20 0.42
▸ CLK3 P49761 10/20 0.42
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ WNT1 P04628 3/20 0.38
▸ JAK2 O60674 3/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ EGFR P00533 1/20 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
SCHEMBL31240412 0.87 CLK2 (0.51) CLK2DYRK1ACLK3WNT1JAK2
SCHEMBL31240560 0.86 CLK2 (0.44) CLK2DYRK1ACLK3WNT1JAK2
SCHEMBL31240490 0.84 CLK2 (0.47) CLK2DYRK1ACLK3WNT1JAK2
SCHEMBL31240504 0.84 DYRK1A (0.40) CLK2DYRK1ACLK3WNT1
SCHEMBL31240749 0.83 DYRK1A (0.44) CLK2DYRK1ACLK3JAK2
SCHEMBL31240291 0.82 DYRK1A (0.43) CLK2DYRK1ACLK3WNT1JAK2
SCHEMBL31240342 0.81 CLK2 (0.49) CLK2DYRK1ACLK3WNT1JAK2
SCHEMBL31240586 0.81 CLK2 (0.52) CLK2DYRK1ACLK3WNT1JAK2
SCHEMBL26686504 0.80 JAK2 (0.44) CLK2DYRK1ACLK3ALOX5APFEN1
SCHEMBL31240498 0.80 CLK2 (0.52) CLK2DYRK1ACLK3WNT1JAK2

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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