SCHEMBL30879347

SCHEMBL30879347

C=Cc1cc([N+](=O)[O-])ccc1N1CCN(C)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
MAPT P10636 3/20 0.55
MCL1 Q07820 2/20 0.55
POLB P06746 2/20 0.55
LMNA P02545 5/20 0.54
GAA P10253 3/20 0.54
SIRT6 Q8N6T7 1/20 0.54
HTT P42858 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
WDR5 P61964 3/20 0.51
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL12005301 1.00 ALDH1A1 (0.55) ALDH1A1MAPTMCL1POLBLMNA
SCHEMBL1969786 0.87 ALDH1A1 (0.71) ALDH1A1MAPTMCL1POLBLMNA
SCHEMBL24629449 0.83 ALDH1A1 (0.78) ALDH1A1MAPTLMNAHTTCYP1A2
SCHEMBL15961236 0.82 SIRT6 (0.59) ALDH1A1POLBLMNAGAASIRT6
SCHEMBL26640429 0.82 ALDH1A1 (0.53) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL3313887 0.80 GAA (0.72) ALDH1A1MAPTPOLBLMNAGAA
SCHEMBL30410222 0.80 ALDH1A1 (0.61) ALDH1A1POLBLMNAGAASIRT6
SCHEMBL2461666 0.80 ALDH1A1 (0.66) ALDH1A1MAPTLMNAGAASIRT6
SCHEMBL30464734 0.80 ALDH1A1 (0.66) ALDH1A1MAPTLMNAGAASIRT6
SCHEMBL398803 0.80 ALDH1A1 (0.61) ALDH1A1POLBLMNAGAASIRT6

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