SCHEMBL30878893

SCHEMBL30878893

CC(C)N1CCN(c2ccc(N)cc2NC(=O)CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PLA2G1B P04054 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.41
▸ GLA P06280 1/20 0.40
▸ HTR1A P08908 8/20 0.38
▸ HTR7 P34969 8/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ PDE7A Q13946 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CACNA1G O43497 1/20 0.37
▸ GAA P10253 1/20 0.36

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
SCHEMBL30879222 0.91 MAPT (0.44) NPSR1TSHRKMT2ALMNAPLA2G1B
SCHEMBL30879203 0.88 ALDH1A1 (0.47) KMT2ALMNAALDH1A1MAPTMEN1
SCHEMBL30878800 0.88 MAPT (0.42) NPSR1TSHRKMT2ALMNAPLA2G1B
SCHEMBL30879069 0.87 HTR1A (0.46) NPSR1TSHRKMT2ALMNAPLA2G1B
SCHEMBL30879352 0.78 WDR5 (0.58) KMT2ALMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL30879219 0.77 HTR7 (0.43) HTR1AHTR7MAPT
SCHEMBL30879091 0.76 WDR5 (0.55) KMT2ALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL30879010 0.75 LMNA (0.53) KMT2ALMNAHTR1AHTR7PDE4B
SCHEMBL30878891 0.73 KDM4E (0.36) KMT2ALMNAHTR7ALDH1A1MAPT
SCHEMBL30879177 0.72 HDAC3 (0.44) KMT2AALDH1A1MAPTMEN1GAA

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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