SCHEMBL31240494

SCHEMBL31240494

Nc1n[nH]c2ccc(-c3ccnc4[nH]c(-c5cccc(CNC6CCCC6)c5)cc34)cc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 10/20 0.46
▸ DYRK1A Q13627 10/20 0.46
▸ CLK3 P49761 8/20 0.46
▸ CHUK O15111 1/20 0.43
▸ INSR P06213 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ CAMKK2 Q96RR4 1/20 0.43
▸ TBK1 Q9UHD2 2/20 0.42
▸ AURKA O14965 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ INCENP Q9NQS7 1/20 0.42
▸ TPX2 Q9ULW0 1/20 0.42
▸ MAP4K4 O95819 2/20 0.42
▸ EGFR P00533 2/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL31240528 0.99 DYRK1A (0.45) CLK2DYRK1ACLK3CHUKINSR
SCHEMBL31240342 0.84 CLK2 (0.49) CLK2DYRK1ACLK3CHUKINSR
SCHEMBL31240570 0.84 DYRK1A (0.48) CLK2DYRK1ACLK3CHUKINSR
SCHEMBL26686078 0.83 DYRK1A (0.40) CLK2DYRK1ACLK3CHUKAURKA
SCHEMBL31240550 0.83 DYRK1A (0.51) CLK2DYRK1ACLK3CHUKINSR
SCHEMBL31240504 0.82 DYRK1A (0.40) CLK2DYRK1ACLK3TBK1AURKA
SCHEMBL31240491 0.81 CLK2 (0.53) CLK2DYRK1ACLK3CHUKINSR
SCHEMBL31240700 0.81 CLK2 (0.58) CLK2DYRK1ACLK3TBK1
SCHEMBL31240618 0.80 CLK2 (0.48) CLK2DYRK1ACLK3CHUKINSR
SCHEMBL31240587 0.80 CLK2 (0.56) CLK2DYRK1ACLK3EGFR

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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