SCHEMBL30878809

SCHEMBL30878809

CC(C)[Si](C#Cc1c(-c2ccccc2)c(=O)n(C)c2nc(S(C)(=O)=O)ncc12)(C(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.34
WEE1 P30291 2/20 0.33
CYP1A2 P05177 7/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
CLK4 Q9HAZ1 1/20 0.33
ALDH1A1 P00352 4/20 0.31
HSD17B10 Q99714 4/20 0.31
CASP1 P29466 4/20 0.31
CASP7 P55210 4/20 0.31
CYP2C9 P11712 4/20 0.31
CYP2C19 P33261 2/20 0.31
HIF1A Q16665 2/20 0.31
TP53 P04637 2/20 0.31
GLA P06280 2/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 3/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL30878746 0.87 WEE1 (0.43) WEE1ACVR1
SCHEMBL30879095 0.86 RIPK2 (0.37) WEE1ACVR1
SCHEMBL30879145 0.85 DPP4 (0.34) PTGS2WEE1TSHRHSD17B10KDM4E
SCHEMBL30878706 0.85 CYP1A2 (0.37) CYP1A2CYP3A4TSHRCLK4ALDH1A1
SCHEMBL30879276 0.83 ALDH1A1 (0.34) CYP1A2CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL30879076 0.83 WEE1 (0.37) WEE1CYP1A2CYP3A4TSHRALDH1A1
SCHEMBL30878873 0.83
SCHEMBL30878696 0.83 KMT2A (0.39) WEE1CYP1A2CYP3A4TSHRCLK4
SCHEMBL30878711 0.82 RIPK2 (0.34) WEE1ACVR1
SCHEMBL30878997 0.81 WEE1 (0.34) WEE1ACVR1

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