SCHEMBL30878800

SCHEMBL30878800

CN1CCCN(c2ccc(N)cc2NC(=O)CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.42
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ TSHR P16473 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ WDR5 P61964 2/20 0.40
▸ HTR1A P08908 2/20 0.39
▸ HTR7 P34969 2/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE7A Q13946 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39

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 0.97 MAPT (0.44) MAPTCRHBPCRHR2TSHRKMT2A
SCHEMBL30879091 0.88 WDR5 (0.55) MAPTKMT2ALMNAWDR5MEN1
SCHEMBL30879069 0.88 HTR1A (0.46) TSHRKMT2ANPSR1LMNAPLA2G1B
SCHEMBL30878893 0.88 NPSR1 (0.41) MAPTTSHRKMT2ANPSR1LMNA
SCHEMBL30879352 0.84 WDR5 (0.58) KMT2ALMNAWDR5MEN1ALDH1A1
SCHEMBL30879219 0.83 HTR7 (0.43) MAPTHDAC3HDAC1HTR1AHTR7
SCHEMBL30878891 0.79 KDM4E (0.36) MAPTKMT2ALMNAWDR5HTR7
SCHEMBL30879177 0.78 HDAC3 (0.44) MAPTKMT2AHDAC3HDAC1MAPK1
SCHEMBL30878834 0.77 KDM4E (0.43) MAPTKMT2AHTR1AHTR7L3MBTL1
SCHEMBL30879010 0.76 LMNA (0.53) MAPTKMT2ALMNAWDR5HTR1A

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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