SCHEMBL31240391

SCHEMBL31240391

Nc1n[nH]c2ccc(-c3ccnc4[nH]c(-c5cc(F)c(CCCN6CCCCC6)c(F)c5)cc34)cc12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 17/20 0.42
▸ WNT1 P04628 4/20 0.42
▸ CLK2 P49760 13/20 0.42
▸ CLK3 P49761 11/20 0.42
▸ TBK1 Q9UHD2 2/20 0.39
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37

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
SCHEMBL31240548 0.92 TBK1 (0.46) DYRK1AWNT1TBK1CDK9
SCHEMBL31240258 0.90 DYRK1A (0.44) DYRK1AWNT1CLK2CLK3TBK1
SCHEMBL31240731 0.85 ROCK2 (0.44) DYRK1ACLK2CLK3TBK1CCNT1
SCHEMBL26686672 0.84 DYRK1A (0.42) DYRK1AWNT1CLK2CLK3
SCHEMBL31240291 0.81 DYRK1A (0.43) DYRK1AWNT1CLK2CLK3TBK1
SCHEMBL26685962 0.81 DYRK1A (0.43) DYRK1AWNT1CLK2CLK3
SCHEMBL31240369 0.79 CHUK (0.47) DYRK1AWNT1CLK2CLK3TBK1
SCHEMBL31240498 0.77 CLK2 (0.52) DYRK1AWNT1CLK2CLK3CCNT1
SCHEMBL31240596 0.77 CLK2 (0.48) DYRK1AWNT1CLK2CLK3CCNT1
SCHEMBL31240700 0.77 CLK2 (0.58) DYRK1ACLK2CLK3TBK1

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
Send feedback