SCHEMBL30879011

SCHEMBL30879011

CC(C)N1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)CCCO)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 10/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ GAA P10253 3/20 0.50
▸ ESRRG P62508 1/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MAPT P10636 4/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL30878705 0.89 WDR5 (0.64) WDR5ALDH1A1GAACYP2D6
SCHEMBL30879355 0.85 WDR5 (0.62) WDR5ALDH1A1KMT2AGAAMAPT
SCHEMBL30879326 0.82 ALDH1A1 (0.59) WDR5ALDH1A1KMT2AGAALMNA
SCHEMBL30879203 0.81 ALDH1A1 (0.47) WDR5ALDH1A1KMT2AGAAESRRG
SCHEMBL18186178 0.76 ALDH1A1 (0.53) ALDH1A1KMT2AGAAESRRGLMNA
SCHEMBL30878707 0.75 WDR5 (0.69) WDR5ALDH1A1GAACYP2D6
SCHEMBL15961410 0.74 WDR5 (0.67) WDR5ALDH1A1GAACYP2D6
SCHEMBL1970582 0.74 WDR5 (0.67) WDR5ALDH1A1GAACYP2D6
SCHEMBL30878815 0.73 LMNA (0.60) ALDH1A1KMT2AGAALMNAMAPT
SCHEMBL32688941 0.72 KMT2A (0.53) ALDH1A1KMT2AGAALMNAMAPT

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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