SCHEMBL30879101

SCHEMBL30879101

C=Cc1c(-c2ccccc2)c(=O)n(C)c2nc(S(C)(=O)=O)ncc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
PTGS2 P35354 3/20 0.38
WEE1 P30291 2/20 0.36
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 4/20 0.36
CASP1 P29466 4/20 0.36
CASP7 P55210 4/20 0.36
CYP2C9 P11712 3/20 0.36
USP2 O75604 3/20 0.36
TP53 P04637 2/20 0.36
GLA P06280 2/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CDK8 P49336 1/20 0.35
ACVR1 Q04771 1/20 0.35

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
SCHEMBL30878989 0.84 WEE1 (0.48) WEE1ALDH1A1TP53GAAKMT2A
SCHEMBL30878669 0.84 RIPK2 (0.41) WEE1ACVR1ABL1SRC
SCHEMBL30878903 0.81 KMT2A (0.43) CYP1A2CYP3A4TSHRCLK4WEE1
SCHEMBL30879040 0.81 KDM4E (0.39) CYP1A2CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL30878809 0.76 PTGS2 (0.34) CYP1A2CYP3A4TSHRCLK4PTGS2
SCHEMBL30878488 0.75 EGFR (0.53) CYP1A2WEE1ALDH1A1CASP1CASP7
SCHEMBL30837130 0.73 ABL1 (0.52) WEE1ACVR1ABL1SRC
SCHEMBL20563978 0.73 ABL1 (0.52) WEE1ACVR1ABL1SRC
SCHEMBL6222690 0.71 GRM5 (0.44) PTGS2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL30878501 0.68 FGFR1 (0.53) WEE1ABL1SRC

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