SCHEMBL31240434

SCHEMBL31240434

COCCNC(=O)c1cccc(-c2cc3c(-c4ccc5[nH]nc(N)c5c4)ccnc3[nH]2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 5/20 0.57
▸ INSR P06213 5/20 0.57
▸ MAPK8 P45983 5/20 0.57
▸ CAMKK2 Q96RR4 5/20 0.57
▸ MAP3K5 Q99683 1/20 0.51
▸ ROCK2 O75116 2/20 0.47
▸ ROCK1 Q13464 2/20 0.47
▸ CLK2 P49760 4/20 0.46
▸ CLK3 P49761 4/20 0.46
▸ DYRK1A Q13627 4/20 0.46
▸ TBK1 Q9UHD2 1/20 0.46
▸ PRKD1 Q15139 1/20 0.43
▸ CCNK O75909 1/20 0.43
▸ CDK12 Q9NYV4 1/20 0.43
▸ TRPA1 O75762 1/20 0.42
▸ TGFBR1 P36897 1/20 0.42
▸ ITK Q08881 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CCNT1 O60563 1/20 0.41
▸ CDK9 P50750 1/20 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
SCHEMBL31240633 0.86 CCNK (0.54) MAP3K5CLK2CLK3DYRK1ACCNK
SCHEMBL26686484 0.86 CCNK (0.54) MAP3K5CLK2CLK3DYRK1ACCNK
SCHEMBL31240454 0.86 DYRK1A (0.54) CHUKINSRMAPK8CAMKK2CLK2
SCHEMBL31240495 0.84 CLK2 (0.53) CHUKINSRMAPK8CAMKK2CLK2
SCHEMBL31240437 0.84 MAPK8 (0.55) CHUKINSRMAPK8CAMKK2CLK2
SCHEMBL31240483 0.83 MAP4K4 (0.53) CHUKINSRMAPK8CAMKK2CLK2
SCHEMBL31240417 0.80 CCNB2 (0.53) ROCK2ROCK1CLK2CLK3DYRK1A
SCHEMBL31240700 0.79 CLK2 (0.58) CLK2CLK3DYRK1ATBK1
SCHEMBL31240792 0.79 CHUK (0.53) CHUKINSRMAPK8CAMKK2MAP3K5
SCHEMBL31240705 0.78 CLK2 (0.57) CHUKINSRMAPK8CAMKK2CLK2

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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