SCHEMBL30879407

SCHEMBL30879407

CN1CCN(c2ccc([N+](=O)[O-])cc2CNC(=O)CCCO)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.48
▸ WDR5 P61964 7/20 0.48
▸ GAA P10253 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ LMNA P02545 4/20 0.48
▸ CYP2D6 P10635 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL30878762 0.83 ALDH1A1 (0.50) ALDH1A1WDR5GAAKMT2APOLB
SCHEMBL30878705 0.83 WDR5 (0.64) ALDH1A1WDR5GAACYP2D6
SCHEMBL30878681 0.81 ALDH1A1 (0.45) ALDH1A1WDR5GAAKMT2APOLB
SCHEMBL30879355 0.80 WDR5 (0.62) ALDH1A1WDR5GAAKMT2ACYP2D6
SCHEMBL1971542 0.79 ALDH1A1 (0.57) ALDH1A1WDR5GAAKMT2APOLB
SCHEMBL30878953 0.77 ALDH1A1 (0.53) ALDH1A1WDR5GAAKMT2APOLB
SCHEMBL2014034 0.77 HTT (0.53) ALDH1A1WDR5GAAKMT2APOLB
SCHEMBL30879275 0.76 MEN1 (0.45) ALDH1A1GAAKMT2APOLBLMNA
SCHEMBL1968454 0.76 ALDH1A1 (0.60) ALDH1A1WDR5GAAKMT2APOLB
SCHEMBL26655887 0.76 ALDH1A1 (0.55) ALDH1A1WDR5GAAKMT2APOLB

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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