SCHEMBL30879017

SCHEMBL30879017

CN1CCN(c2ccc([N+](=O)[O-])cc2OC2CCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.53
ALDH1A1 P00352 10/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2C19 P33261 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 2/20 0.52
CYP2D6 P10635 2/20 0.52
PTGES O14684 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
LMNA P02545 5/20 0.49
HTT P42858 2/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL30879164 0.82 CYP19A1 (0.54) CYP19A1ALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL29556577 0.82 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL2062270 0.82 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL28685655 0.82 HTT (0.48) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL29399636 0.82 HTT (0.48) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL30879346 0.81 CYP19A1 (0.45) CYP19A1ALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL28507271 0.80 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL25797097 0.80 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL30879417 0.80 CYP19A1 (0.44) CYP19A1ALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL30879090 0.80 CYP19A1 (0.47) CYP19A1ALDH1A1SMN1; SMN2CYP1A2CYP3A4

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