SCHEMBL30879275

SCHEMBL30879275

O=C(CCCO)NCc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ GAA P10253 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL21995993 0.83 ALDH1A1 (0.49) MEN1KMT2AGAAHTTLMNA
SCHEMBL30799103 0.83 ALDH1A1 (0.49) MEN1KMT2AGAAHTTLMNA
SCHEMBL30878815 0.79 LMNA (0.60) MEN1KMT2AGAAMAPTHTT
SCHEMBL2061985 0.77 ALDH1A1 (0.46) MEN1KMT2AGAAMAPTHTT
SCHEMBL30879407 0.76 ALDH1A1 (0.48) MEN1KMT2AGAAMAPTLMNA
SCHEMBL28921350 0.76 KMT2A (0.46) MEN1KMT2AGAAMAPTHTT
SCHEMBL16197191 0.74 ALDH1A1 (0.53) MEN1KMT2AGAAMAPTHTT
SCHEMBL31444647 0.74 LMNA (0.51) MEN1KMT2AGAAMAPTHTT
SCHEMBL377336 0.74 ALDH1A1 (0.56) MEN1KMT2AGAAMAPTHTT
SCHEMBL30879088 0.73 MEN1 (0.41) MEN1KMT2AGAAMAPTHTT

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-4612148-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2025-09-10 — — EP disclosed
WO-2024094963-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-05-10 — — WO disclosed
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