SCHEMBL30879313

SCHEMBL30879313

CNc1nc(SC)ncc1C(=O)OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
SYK P43405 2/20 0.49
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
FOS P01100 1/20 0.46
JUN P05412 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AHR P35869 1/20 0.40
GAA P10253 1/20 0.40
PDE4B Q07343 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
SCHEMBL1521842 0.85 ALDH1A1 (0.70) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL29545771 0.85 ALDH1A1 (0.70) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL24885934 0.84 RAB9A (0.50) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL16370470 0.84 MEN1 (0.49) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL16446157 0.83 ALDH1A1 (0.43) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL24885909 0.81 ALDH1A1 (0.44) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL30078186 0.81 ALDH1A1 (0.44) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL19100943 0.81 ALDH1A1 (0.51) ALDH1A1SYKMAPTSMN1; SMN2MEN1
SCHEMBL2221978 0.81 AHR (0.55) ALDH1A1SYKLMNAMEN1KMT2A
SCHEMBL5824244 0.81 ALDH1A1 (0.47) ALDH1A1SYKMAPTSMN1; SMN2LMNA

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