SCHEMBL30879203

SCHEMBL30879203

CC(C)N1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ WDR5 P61964 8/20 0.47
▸ GAA P10253 3/20 0.47
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ CYP2D6 P10635 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ ESRRG P62508 1/20 0.40

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
SCHEMBL30879352 0.91 WDR5 (0.58) ALDH1A1KMT2AWDR5GAALMNA
SCHEMBL30879091 0.88 WDR5 (0.55) ALDH1A1KMT2AWDR5GAALMNA
SCHEMBL30878893 0.88 NPSR1 (0.41) ALDH1A1KMT2AGAALMNAMAPT
SCHEMBL30879010 0.88 LMNA (0.53) ALDH1A1KMT2AWDR5GAALMNA
SCHEMBL30879011 0.81 WDR5 (0.50) ALDH1A1KMT2AWDR5GAALMNA
SCHEMBL30878851 0.80 MAPT (0.51) ALDH1A1KMT2AGAALMNAMAPT
SCHEMBL30879222 0.78 MAPT (0.44) ALDH1A1KMT2AWDR5GAALMNA
SCHEMBL30878681 0.78 ALDH1A1 (0.45) ALDH1A1KMT2AWDR5GAALMNA
SCHEMBL30878800 0.76 MAPT (0.42) ALDH1A1KMT2AWDR5GAALMNA
SCHEMBL30879069 0.75 HTR1A (0.46) KMT2ALMNA

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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