SCHEMBL31240504

SCHEMBL31240504

Nc1n[nH]c2ccc(-c3ccnc4[nH]c(-c5cc(F)nc(CNC6CCCCC6)c5)cc34)cc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 13/20 0.40
▸ CLK2 P49760 12/20 0.40
▸ CLK3 P49761 10/20 0.40
▸ CCNT1 O60563 2/20 0.35
▸ CDK9 P50750 2/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ TBK1 Q9UHD2 2/20 0.34
▸ WNT1 P04628 2/20 0.34

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
SCHEMBL31240389 0.84 CLK2 (0.42) DYRK1ACLK2CLK3WNT1
SCHEMBL31240291 0.84 DYRK1A (0.43) DYRK1ACLK2CLK3TBK1WNT1
SCHEMBL31240412 0.83 CLK2 (0.51) DYRK1ACLK2CLK3MAPK14WNT1
SCHEMBL31240560 0.83 CLK2 (0.44) DYRK1ACLK2CLK3MAPK14WNT1
SCHEMBL31240528 0.83 DYRK1A (0.45) DYRK1ACLK2CLK3AURKAAURKB
SCHEMBL26686078 0.82 DYRK1A (0.40) DYRK1ACLK2CLK3AURKAPDPK1
SCHEMBL31240494 0.82 CLK2 (0.46) DYRK1ACLK2CLK3AURKAAURKB
SCHEMBL31240380 0.80 CLK2 (0.41) DYRK1ACLK2CLK3CDK9TBK1
SCHEMBL31240490 0.79 CLK2 (0.47) DYRK1ACLK2CLK3MAPK14WNT1
SCHEMBL31240355 0.79 CDK9 (0.41) CCNT1CDK9

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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