SCHEMBL31240717

SCHEMBL31240717

CCOC(=O)c1cccc(Nc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)c1.Nc1n[nH]c2ccc(-c3ccnc(Nc4cccc(C(=O)O)c4)c3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.51
▸ MAPT P10636 4/20 0.51
▸ LMNA P02545 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ CDC25B P30305 4/20 0.45
▸ CREBBP Q92793 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ BRAF P15056 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ SYK P43405 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ POLB P06746 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ HTR1D P28221 1/20 0.42

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
SCHEMBL31240287 0.97 TP53 (0.52) TP53MAPTLMNATHRBCDC25B
SCHEMBL31240431 0.90 NPC1 (0.48) CDC25BNPC1RAB9AROCK1
SCHEMBL31240611 0.83 ROCK1 (0.53) BRAFSYKROCK1
SCHEMBL31240612 0.83 ROCK1 (0.53) BRAFSYKROCK1
SCHEMBL31240407 0.79 JAK2 (0.63) —
SCHEMBL31240571 0.79 ROCK2 (0.45) ROCK1
SCHEMBL30633127 0.79 JAK2 (0.48) ROCK1
SCHEMBL26886635 0.79 JAK2 (0.48) ROCK1
SCHEMBL31240518 0.78 PIK3C3 (0.48) ROCK1
SCHEMBL14254298 0.78 MAPT (0.54) TP53MAPTLMNATHRBCDC25B

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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