SCHEMBL30988451

SCHEMBL30988451

O=C(O)c1cc(-c2cccc(-c3cnn(C4COC4)c3)c2)[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 2/20 0.43
▸ MKNK2 Q9HBH9 2/20 0.43
▸ EIF4E P06730 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ BRD4 O60885 2/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ PIM1 P11309 2/20 0.41
▸ PIM2 Q9P1W9 1/20 0.40
▸ ROCK1 Q13464 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TNIK Q9UKE5 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ IRAK4 Q9NWZ3 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ MAP3K5 Q99683 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL30988467 0.90 IRAK4 (0.48) MKNK1MKNK2PIM1PIM2ROCK1
SCHEMBL31704583 0.77 KIT (0.46) MKNK1MKNK2EIF4EMAPK1BRD4
SCHEMBL30988449 0.76 MEN1 (0.40) MEN1KMT2APOLBMAPTTNIK
SCHEMBL30988461 0.76 TNIK (0.41) BRD4CREBBPPIM1MEN1KMT2A
SCHEMBL26135323 0.71 BRD4 (0.45) MKNK1MKNK2EIF4EBRD4CREBBP
SCHEMBL31457959 0.71 BRD4 (0.45) MKNK1MKNK2EIF4EBRD4CREBBP
SCHEMBL73351 0.69 MEN1 (0.53) MEN1KMT2APOLBMAPT
SCHEMBL21033314 0.69 BRD4 (0.41) MKNK1MKNK2EIF4EBRD4CREBBP
SCHEMBL69492 0.69 MEN1 (0.58) MEN1KMT2APOLBMAPT
SCHEMBL31705955 0.69 MKNK1 (0.52) MKNK1MKNK2EIF4EMAPK1BRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324752-A Five-membered heterocyclic compound with phenyl substitution, and preparation and application thereof 江西中医药大学 2024-07-12 — — CN disclosed
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