SCHEMBL31240596

SCHEMBL31240596

NC(=O)c1c(F)cc(-c2cc3c(-c4ccc5[nH]nc(N)c5c4)ccnc3[nH]2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 8/20 0.48
▸ DYRK1A Q13627 8/20 0.48
▸ CLK3 P49761 7/20 0.48
▸ CHUK O15111 6/20 0.44
▸ INSR P06213 6/20 0.44
▸ MAPK8 P45983 6/20 0.44
▸ CAMKK2 Q96RR4 6/20 0.44
▸ CCNT1 O60563 2/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ WNT1 P04628 2/20 0.41
▸ ALOX5AP P20292 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ NUDT1 P36639 1/20 0.40

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
SCHEMBL31240498 0.84 CLK2 (0.52) CLK2DYRK1ACLK3CCNT1CDK9
SCHEMBL31240700 0.84 CLK2 (0.58) CLK2DYRK1ACLK3
SCHEMBL31240412 0.83 CLK2 (0.51) CLK2DYRK1ACLK3WNT1
SCHEMBL31240369 0.83 CHUK (0.47) CLK2DYRK1ACLK3CHUKINSR
SCHEMBL31240437 0.82 MAPK8 (0.55) CLK2DYRK1ACLK3CHUKINSR
SCHEMBL31240580 0.82 CLK2 (0.50) CLK2DYRK1ACLK3WNT1
SCHEMBL31240586 0.81 CLK2 (0.52) CLK2DYRK1ACLK3WNT1
SCHEMBL31420159 0.81 NUDT1 (0.60) CLK2DYRK1ACLK3CHUKINSR
SCHEMBL26685791 0.81 NUDT1 (0.60) CLK2DYRK1ACLK3CHUKINSR
SCHEMBL31240343 0.80 CLK2 (0.63) CLK2DYRK1ACLK3WNT1

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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