SCHEMBL30879007

SCHEMBL30879007

COCC(=O)N(C)c1ccc([N+](=O)[O-])c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIRT6 Q8N6T7 1/20 0.40
CHEK1 O14757 2/20 0.40
BACE1 P56817 2/20 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
SCHEMBL30879125 0.87 LMNA (0.45) MAPTLMNAALDH1A1TDP1KMT2A
SCHEMBL30879022 0.87 LMNA (0.44) MAPTLMNAALDH1A1TDP1NPC1
SCHEMBL520092 0.87 LMNA (0.44) MAPTLMNAALDH1A1TDP1NPC1
SCHEMBL521221 0.79 SIRT6 (0.53) MAPTLMNAALDH1A1KMT2ARAB9A
SCHEMBL222267 0.78 MAPT (0.62) MAPTLMNAALDH1A1TDP1SIRT6
SCHEMBL520652 0.78 KMT2A (0.50) MAPTLMNACYP1A2ALDH1A1MEN1
SCHEMBL30879349 0.78 ALDH1A1 (0.44) MAPTLMNAALDH1A1TDP1MEN1
SCHEMBL3936872 0.77 MAPT (0.60) MAPTCYP1A2ALDH1A1TDP1MEN1
SCHEMBL26383006 0.76 ALDH1A1 (0.49) MAPTLMNAALDH1A1TDP1MEN1
SCHEMBL3719769 0.76 ALDH1A1 (0.52) MAPTLMNAALDH1A1TDP1NPC1

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