SCHEMBL30879069

SCHEMBL30879069

COCCN1CCN(c2ccc(N)cc2NC(=O)CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 17/20 0.46
▸ HTR7 P34969 17/20 0.46
▸ PDE4B Q07343 3/20 0.46
▸ PDE7A Q13946 2/20 0.46
▸ CACNA1G O43497 2/20 0.44
▸ LMNA P02545 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 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
SCHEMBL30879222 0.91 MAPT (0.44) HTR1AHTR7PDE4BPDE7ACACNA1G
SCHEMBL30879010 0.88 LMNA (0.53) HTR1AHTR7PDE4BPDE7ALMNA
SCHEMBL30878800 0.88 MAPT (0.42) HTR1AHTR7PDE4BPDE7ALMNA
SCHEMBL30878893 0.87 NPSR1 (0.41) HTR1AHTR7PDE4BPDE7ACACNA1G
SCHEMBL30879352 0.79 WDR5 (0.58) LMNAKMT2A
SCHEMBL30879219 0.78 HTR7 (0.43) HTR1AHTR7
SCHEMBL30879091 0.76 WDR5 (0.55) LMNAKMT2A
SCHEMBL30879203 0.75 ALDH1A1 (0.47) LMNAKMT2A
SCHEMBL30879177 0.74 HDAC3 (0.44) KMT2A
SCHEMBL30878891 0.73 KDM4E (0.36) HTR7LMNAKMT2A

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
Send feedback