SCHEMBL31240416

SCHEMBL31240416

Nc1n[nH]c2ccc(-c3ccnc4[nH]c(-c5cc(SCc6ccccc6)nc(N6CCOCC6)c5)cc34)cc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 13/20 0.44
▸ CDC7 O00311 1/20 0.42
▸ PRMT5 O14744 1/20 0.41
▸ LRRK2 Q5S007 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ CSF1R P07333 1/20 0.39
▸ CHUK O15111 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ CAMKK2 Q96RR4 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
SCHEMBL31240485 0.87 TBK1 (0.54) TBK1LRRK2JAK2
SCHEMBL31240594 0.84 DYRK1A (0.44) CDC7JAK2CSF1RCHUKMAPK8
SCHEMBL31240301 0.83 DYRK1A (0.46) CDC7PRMT5JAK2CHUKMAPK8
SCHEMBL31240533 0.82 TBK1 (0.54) TBK1LRRK2
SCHEMBL31240589 0.80 TBK1 (0.60) TBK1
SCHEMBL31240352 0.78 TBK1 (0.61) TBK1JAK2CSF1RCHUKMAPK8
SCHEMBL31240247 0.76 JAK2 (0.67) TBK1JAK2CSF1RCHUKMAPK8
SCHEMBL31240366 0.76 TBK1 (0.52) TBK1LRRK2CSF1R
SCHEMBL31240405 0.74 CLK2 (0.59) JAK2
SCHEMBL31240473 0.73 DYRK1A (0.51) TBK1LRRK2JAK2

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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