SCHEMBL30879164

SCHEMBL30879164

CN1CCN(c2ccc([N+](=O)[O-])cc2OCC2CCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.54
ALDH1A1 P00352 9/20 0.47
LMNA P02545 6/20 0.47
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
WDR5 P61964 2/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL30879346 0.89 CYP19A1 (0.45) CYP19A1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL30879090 0.88 CYP19A1 (0.47) CYP19A1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL30879417 0.88 CYP19A1 (0.44) CYP19A1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL30879017 0.82 CYP19A1 (0.53) CYP19A1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL16501054 0.81 LMNA (0.51) CYP19A1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL30736225 0.81 ALDH1A1 (0.52) ALDH1A1LMNAGAASMN1; SMN2CYP1A2
SCHEMBL21808580 0.81 ALDH1A1 (0.52) ALDH1A1LMNAGAASMN1; SMN2CYP1A2
SCHEMBL2904916 0.80 ALDH1A1 (0.51) ALDH1A1LMNAGAASMN1; SMN2CYP1A2
SCHEMBL10036430 0.80 FGFR3 (0.47) ALDH1A1LMNAGAASMN1; SMN2CYP1A2
SCHEMBL30878657 0.80 MAPT (0.49) ALDH1A1GAAHTTKDM4EMAPT

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