SCHEMBL30879222

SCHEMBL30879222

CN1CCN(c2ccc(N)cc2NC(=O)CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PLA2G1B P04054 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ HTR1A P08908 4/20 0.41
▸ HTR7 P34969 4/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE7A Q13946 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GAA P10253 2/20 0.40

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
SCHEMBL30878800 0.97 MAPT (0.42) MAPTKMT2ATSHRNPSR1LMNA
SCHEMBL30879069 0.91 HTR1A (0.46) KMT2ATSHRNPSR1LMNAPLA2G1B
SCHEMBL30878893 0.91 NPSR1 (0.41) MAPTKMT2ATSHRNPSR1LMNA
SCHEMBL30879352 0.87 WDR5 (0.58) KMT2ALMNAMEN1GAAWDR5
SCHEMBL30879219 0.86 HTR7 (0.43) MAPTHDAC3HDAC1HTR1AHTR7
SCHEMBL30879091 0.84 WDR5 (0.55) MAPTKMT2ALMNAMEN1GAA
SCHEMBL30878891 0.82 KDM4E (0.36) MAPTKMT2ALMNAHTR7GAA
SCHEMBL30879177 0.81 HDAC3 (0.44) MAPTKMT2AHDAC3HDAC1MEN1
SCHEMBL30878834 0.80 KDM4E (0.43) MAPTKMT2AHTR1AHTR7L3MBTL1
SCHEMBL30879010 0.79 LMNA (0.53) MAPTKMT2ALMNAHTR1AHTR7

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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