SCHEMBL30878757

SCHEMBL30878757

CN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC2CCCC2)CC1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.76
▸ KMT2A Q03164 3/20 0.61
▸ POLB P06746 2/20 0.61
▸ LMNA P02545 3/20 0.56
▸ GAA P10253 1/20 0.56
▸ HSP90AA1 P07900 1/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ WDR5 P61964 1/20 0.53

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
SCHEMBL28300846 0.83 ALDH1A1 (0.90) ALDH1A1KMT2APOLBLMNAHSP90AA1
SCHEMBL30878978 0.83 ALDH1A1 (0.53) ALDH1A1KMT2APOLBGAAMEN1
SCHEMBL10126964 0.81 ALDH1A1 (0.73) ALDH1A1KMT2APOLBLMNAGAA
SCHEMBL1671418 0.80 ALDH1A1 (0.66) ALDH1A1KMT2APOLBHSP90AA1MAPT
SCHEMBL30921338 0.78 WDR5 (0.54) ALDH1A1KMT2AGAACYP2D6WDR5
SCHEMBL30879336 0.78 ALDH1A1 (0.62) ALDH1A1KMT2APOLBHSP90AA1MEN1
SCHEMBL30879141 0.77 WDR5 (0.61) ALDH1A1GAACYP2D6WDR5
SCHEMBL30879248 0.77 ALDH1A1 (0.56) ALDH1A1KMT2APOLBLMNAGAA
SCHEMBL10126992 0.77 ALDH1A1 (0.71) ALDH1A1KMT2APOLBLMNAGAA
SCHEMBL1972566 0.77 ALDH1A1 (0.75) ALDH1A1KMT2APOLBLMNAGAA

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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