SCHEMBL30878680

SCHEMBL30878680

CCOC(=O)c1cnc(SC)nc1Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.72
HTT P42858 2/20 0.72
MAPK1 P28482 2/20 0.72
ALDH1A1 P00352 7/20 0.60
MAPT P10636 4/20 0.60
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
FOS P01100 2/20 0.49
JUN P05412 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
NPSR1 Q6W5P4 3/20 0.48
ALOX15 P16050 1/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL17837350 1.00 SYK (0.72) SYKHTTMAPK1ALDH1A1MAPT
SCHEMBL30878987 0.90 HTT (0.58) SYKHTTMAPK1ALDH1A1MAPT
SCHEMBL30878949 0.88 SYK (0.74) SYKHTTMAPK1ALDH1A1MAPT
SCHEMBL19441968 0.87 SYK (0.55) SYKHTTMAPK1ALDH1A1MAPT
SCHEMBL30892309 0.86 SYK (0.54) SYKHTTMAPK1ALDH1A1MAPT
SCHEMBL29218438 0.86 SYK (0.54) SYKHTTMAPK1ALDH1A1MAPT
SCHEMBL17837358 0.86 SYK (0.52) SYKHTTMAPK1ALDH1A1MAPT
SCHEMBL30879330 0.85 HTT (0.51) SYKHTTMAPK1ALDH1A1MAPT
SCHEMBL14981500 0.84 SYK (0.78) SYKHTTMAPK1ALDH1A1MAPT
SCHEMBL2627185 0.84 SYK (1.00) SYKHTTMAPK1ALDH1A1MAPT

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