SCHEMBL31620249

SCHEMBL31620249

COc1cc2nc(Cl)nc(NCc3ccccn3)c2cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 2/20 0.64
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HTT P42858 4/20 0.58
JAK2 O60674 1/20 0.52
IGF1R P08069 1/20 0.52
PIM1 P11309 1/20 0.52
SRC P12931 1/20 0.52
CSNK2A2 P19784 1/20 0.52
KCNA5 P22460 1/20 0.52
JAK1 P23458 1/20 0.52
CCNE1 P24864 1/20 0.52
CDK2 P24941 1/20 0.52
TYK2 P29597 1/20 0.52
FLT4 P35916 1/20 0.52
FLT3 P36888 1/20 0.52
MAP3K8 P41279 1/20 0.52
CSNK1A1 P48729 1/20 0.52
GSK3B P49841 1/20 0.52
JAK3 P52333 1/20 0.52

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
SCHEMBL27253669 1.00 PGK1 (0.64) PGK1MEN1KMT2AHTTJAK2
SCHEMBL20266994 0.89 PGK1 (0.65) PGK1MEN1KMT2AHTTIRAK4
SCHEMBL3643238 0.83 EGFR (0.65) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL7262064 0.81 PDE5A (0.58) PGK1MEN1KMT2AHTTKCNA5
SCHEMBL4089465 0.80 PDE5A (0.69) MEN1KMT2AHTTJAK2IGF1R
SCHEMBL31620265 0.80 HTT (0.62) PGK1MEN1KMT2AHTTKDM4E
SCHEMBL27253658 0.80 HTT (0.62) PGK1MEN1KMT2AHTTKDM4E
SCHEMBL25354458 0.80 MAPK1 (0.60) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL1291750 0.78 PGK1 (1.00) PGK1MEN1KMT2AHTTGSK3B
SCHEMBL3112150 0.77 MEN1 (0.66) MEN1KMT2AHTTCCNE1CDK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120152965-A Quinazoline derivatives 国立大学法人京都大学 2025-06-13 CN claimed
EP-4617268-A1 QUINAZOLINE DERIVATIVES Kyoto University (JP) 2025-09-17 EP disclosed
CN-120152965-A Quinazoline derivatives 国立大学法人京都大学 2025-06-13 CN disclosed