SCHEMBL28638852

SCHEMBL28638852

CN1CCN(c2ccc(Nc3ncc(C(=O)O)c(Nc4ccc5cn[nH]c5c4)n3)cc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.77
FGFR1 P11362 3/20 0.77
SYK P43405 2/20 0.72
BRD4 O60885 3/20 0.66
PDGFRA P16234 11/20 0.65
PDGFRB P09619 10/20 0.65
AURKA O14965 2/20 0.65
DAPK3 O43293 2/20 0.65
JAK2 O60674 2/20 0.65
PRKD3 O94806 2/20 0.65
MAP4K4 O95819 2/20 0.65
PAK4 O96013 2/20 0.65
NTRK1 P04629 2/20 0.65
LCK P06239 2/20 0.65
FYN P06241 2/20 0.65
CSF1R P07333 2/20 0.65
RET P07949 2/20 0.65
IGF1R P08069 2/20 0.65
MET P08581 2/20 0.65
PRKACA P17612 2/20 0.65

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
SCHEMBL26072888 0.88 EGFR (0.70) EGFRFGFR1SYKBRD4PDGFRA
SCHEMBL29793973 0.86 PDGFRA (0.85) EGFRFGFR1BRD4PDGFRAPDGFRB
SCHEMBL24625523 0.86 PDGFRB (0.83) EGFRFGFR1BRD4PDGFRAPDGFRB
SCHEMBL26394690 0.86 PDGFRA (0.85) EGFRFGFR1BRD4PDGFRAPDGFRB
SCHEMBL29793826 0.85 EGFR (0.79) EGFRFGFR1SYKBRD4PDGFRA
SCHEMBL26394684 0.85 EGFR (0.79) EGFRFGFR1SYKBRD4PDGFRA
SCHEMBL26394706 0.84 EGFR (0.77) EGFRFGFR1BRD4PDGFRAPDGFRB
SCHEMBL736542 0.83 SYK (1.00) EGFRFGFR1SYK
SCHEMBL763394 0.83 SYK (0.87) EGFRFGFR1SYKPDGFRAPDGFRB
SCHEMBL24625519 0.83 EGFR (0.75) EGFRFGFR1SYKBRD4PDGFRA

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
CN-112778282-B Pyrimidine micromolecule compound and application thereof 温州医科大学 2022-07-22 CN disclosed
CN-112778282-A Pyrimidine micromolecule compound and application thereof 温州医科大学 2021-05-11 CN disclosed