SCHEMBL30878707

SCHEMBL30878707

CCC(=O)Nc1cc([N+](=O)[O-])ccc1N1CCN(C)CC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 18/20 0.69
▸ GAA P10253 1/20 0.69
▸ ALDH1A1 P00352 2/20 0.64
▸ CYP2D6 P10635 1/20 0.64
▸ HTT P42858 1/20 0.60

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
SCHEMBL1970582 0.89 WDR5 (0.67) WDR5GAAALDH1A1CYP2D6HTT
SCHEMBL15961410 0.89 WDR5 (0.67) WDR5GAAALDH1A1CYP2D6HTT
SCHEMBL30879000 0.86 WDR5 (0.73) WDR5GAAALDH1A1CYP2D6HTT
SCHEMBL282334 0.86 WDR5 (0.73) WDR5GAAALDH1A1CYP2D6HTT
SCHEMBL30878705 0.86 WDR5 (0.64) WDR5GAAALDH1A1CYP2D6HTT
SCHEMBL30879141 0.85 WDR5 (0.61) WDR5GAAALDH1A1CYP2D6HTT
SCHEMBL30879355 0.83 WDR5 (0.62) WDR5GAAALDH1A1CYP2D6HTT
SCHEMBL16096147 0.82 WDR5 (0.67) WDR5GAAALDH1A1CYP2D6HTT
SCHEMBL20213949 0.81 WDR5 (1.00) WDR5GAAALDH1A1CYP2D6HTT
SCHEMBL30879250 0.80 TSHR (0.56) 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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