SCHEMBL30878953

SCHEMBL30878953

CN1CCN(c2ccc([N+](=O)[O-])cc2CCCC(N)=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.53
▸ LMNA P02545 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ KMT2A Q03164 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ WDR5 P61964 5/20 0.50
▸ POLB P06746 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ HTT P42858 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL1971542 0.81 ALDH1A1 (0.57) ALDH1A1LMNAGAAKMT2ACYP1A2
SCHEMBL1968454 0.81 ALDH1A1 (0.60) ALDH1A1LMNAGAAKMT2ACYP1A2
SCHEMBL30878897 0.81 ALDH1A1 (0.52) ALDH1A1LMNAGAAKMT2ACYP1A2
SCHEMBL25328483 0.79 HTT (0.53) ALDH1A1LMNAGAAKMT2ACYP1A2
SCHEMBL15506819 0.79 HTT (0.55) ALDH1A1LMNAGAAKMT2ACYP1A2
SCHEMBL25329551 0.79 ALDH1A1 (0.55) ALDH1A1LMNAGAAKMT2ACYP1A2
SCHEMBL2011449 0.78 LMNA (0.54) ALDH1A1LMNAGAAKMT2ACYP1A2
SCHEMBL26655887 0.78 ALDH1A1 (0.55) ALDH1A1LMNAGAAKMT2ACYP1A2
SCHEMBL13369831 0.78 WDR5 (0.53) ALDH1A1LMNAGAAKMT2ACYP1A2
SCHEMBL12006453 0.77 LMNA (0.58) ALDH1A1LMNAGAAKMT2ACYP1A2

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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