SCHEMBL31240287

SCHEMBL31240287

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ CDC25B P30305 4/20 0.48
▸ BRAF P15056 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ SYK P43405 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ ROCK1 Q13464 4/20 0.45
▸ HPGD P15428 2/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ HTR1D P28221 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ HTR2B P41595 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
SCHEMBL31240717 0.97 TP53 (0.51) TP53MAPTLMNATHRBCDC25B
SCHEMBL31240431 0.86 NPC1 (0.48) CDC25BNPC1RAB9AROCK1ROCK2
SCHEMBL31240611 0.86 ROCK1 (0.53) BRAFSYKROCK1JAK2
SCHEMBL31240612 0.86 ROCK1 (0.53) BRAFSYKROCK1JAK2
SCHEMBL31240571 0.82 ROCK2 (0.45) ROCK1ROCK2JAK2LIMK1
SCHEMBL26886635 0.81 JAK2 (0.48) ROCK1ROCK2PLK4DAPK3DYRK3
SCHEMBL30633127 0.81 JAK2 (0.48) ROCK1ROCK2PLK4DAPK3DYRK3
SCHEMBL31240518 0.81 PIK3C3 (0.48) ROCK1ROCK2PLK4DAPK3DYRK3
SCHEMBL14254298 0.80 MAPT (0.54) TP53MAPTLMNATHRBCDC25B
SCHEMBL31240407 0.80 JAK2 (0.63) JAK2CLK2PRKCDDYRK1A

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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