SCHEMBL30878705

SCHEMBL30878705

CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)CCCO)CC1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 17/20 0.64
▸ GAA P10253 1/20 0.64
▸ ALDH1A1 P00352 3/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ HTT P42858 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL30879355 0.96 WDR5 (0.62) WDR5GAAALDH1A1CYP2D6HTT
SCHEMBL30879011 0.89 WDR5 (0.50) WDR5GAAALDH1A1CYP2D6
SCHEMBL30879326 0.87 ALDH1A1 (0.59) WDR5GAAALDH1A1CYP2D6HTT
SCHEMBL30878707 0.86 WDR5 (0.69) WDR5GAAALDH1A1CYP2D6HTT
SCHEMBL15961410 0.85 WDR5 (0.67) WDR5GAAALDH1A1CYP2D6HTT
SCHEMBL1970582 0.85 WDR5 (0.67) WDR5GAAALDH1A1CYP2D6HTT
SCHEMBL30879407 0.83 ALDH1A1 (0.48) WDR5GAAALDH1A1CYP2D6
SCHEMBL282334 0.83 WDR5 (0.73) WDR5GAAALDH1A1CYP2D6HTT
SCHEMBL30879000 0.83 WDR5 (0.73) WDR5GAAALDH1A1CYP2D6HTT
SCHEMBL30879141 0.81 WDR5 (0.61) WDR5GAAALDH1A1CYP2D6HTT

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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