SCHEMBL31240571

SCHEMBL31240571

Nc1n[nH]c2ccc(-c3ccnc(Nc4cccc(C(=O)NCCO)c4)c3)cc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.45
▸ ROCK1 Q13464 2/20 0.45
▸ GPR52 Q9Y2T5 1/20 0.45
▸ ULK1 O75385 1/20 0.45
▸ JAK2 O60674 4/20 0.44
▸ JAK1 P23458 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ LRRK2 Q5S007 1/20 0.44
▸ LIMK1 P53667 1/20 0.43
▸ ABL1 P00519 5/20 0.43
▸ BCR P11274 5/20 0.43
▸ FYN P06241 1/20 0.42
▸ MAPK8 P45983 1/20 0.41
▸ MAPK10 P53779 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
SCHEMBL31240431 0.86 NPC1 (0.48) ROCK2ROCK1ULK1JAK2JAK1
SCHEMBL31240611 0.86 ROCK1 (0.53) ROCK1ULK1JAK2JAK1LRRK2
SCHEMBL31240612 0.86 ROCK1 (0.53) ROCK1ULK1JAK2JAK1LRRK2
SCHEMBL31240407 0.82 JAK2 (0.63) ULK1JAK2JAK1LRRK2ABL1
SCHEMBL31240287 0.82 TP53 (0.52) ROCK2ROCK1JAK2LIMK1
SCHEMBL26686173 0.81 MAPK1 (0.56) ROCK2ROCK1JAK2MAPK1LIMK1
SCHEMBL30633349 0.81 MAPK1 (0.56) ROCK2ROCK1JAK2MAPK1LIMK1
SCHEMBL31240361 0.81 JAK2 (0.47) ROCK2ROCK1JAK2LRRK2LIMK1
SCHEMBL31240424 0.79 JAK2 (0.50) ROCK2ROCK1JAK2LRRK2LIMK1
SCHEMBL31240461 0.79 JAK2 (0.52) ROCK2ROCK1ULK1JAK2JAK1

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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