SCHEMBL31240611

SCHEMBL31240611

NC(=O)c1cccc(Nc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.53
▸ PKMYT1 Q99640 1/20 0.48
▸ LYN P07948 1/20 0.47
▸ TXK P42681 1/20 0.47
▸ SYK P43405 1/20 0.47
▸ BTK Q06187 1/20 0.47
▸ RAF1 P04049 1/20 0.46
▸ BRAF P15056 1/20 0.46
▸ JAK2 O60674 7/20 0.46
▸ MAP2K4 P45985 1/20 0.46
▸ LRRK2 Q5S007 1/20 0.45
▸ ULK1 O75385 1/20 0.45
▸ JAK1 P23458 3/20 0.45
▸ TTK P33981 1/20 0.44
▸ MAPK8 P45983 1/20 0.44

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
SCHEMBL31240612 1.00 ROCK1 (0.53) ROCK1PKMYT1LYNTXKSYK
SCHEMBL31240431 0.92 NPC1 (0.48) ROCK1JAK2MAP2K4LRRK2ULK1
SCHEMBL26685726 0.91 JAK2 (0.48) ROCK1PKMYT1LYNTXKSYK
SCHEMBL31420120 0.91 JAK2 (0.48) ROCK1PKMYT1LYNTXKSYK
SCHEMBL31240407 0.86 JAK2 (0.63) JAK2LRRK2ULK1JAK1MAPK8
SCHEMBL31240571 0.86 ROCK2 (0.45) ROCK1JAK2LRRK2ULK1JAK1
SCHEMBL31240287 0.86 TP53 (0.52) ROCK1SYKBRAFJAK2
SCHEMBL31240424 0.85 JAK2 (0.50) ROCK1PKMYT1SYKRAF1BRAF
SCHEMBL31240461 0.85 JAK2 (0.52) ROCK1JAK2LRRK2ULK1JAK1
SCHEMBL31240518 0.84 PIK3C3 (0.48) ROCK1JAK2LRRK2ULK1JAK1

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 2 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 disclosed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 — — WO disclosed
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