SCHEMBL29600010

SCHEMBL29600010

CC(C)(C)n1nc(-c2cccc(O)c2)c2c(N)ncnc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 0.76
ABL1 P00519 10/20 0.76
EGFR P00533 4/20 0.67
KDR P35968 4/20 0.67
PIK3CD O00329 3/20 0.67
PIK3CA P42336 3/20 0.67
PIK3CB P42338 3/20 0.67
PIK3CG P48736 3/20 0.67
PRKDC P78527 3/20 0.67
MTOR P42345 3/20 0.67
HCK P08631 3/20 0.67
EPHB4 P54760 2/20 0.67
PI4KB Q9UBF8 1/20 0.67
KDM4E B2RXH2 2/20 0.64
RIPK2 O43353 2/20 0.64
ALDH1A1 P00352 2/20 0.64
LMNA P02545 2/20 0.64
LCK P06239 2/20 0.64
FYN P06241 2/20 0.64
YES1 P07947 2/20 0.64

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
SCHEMBL408497 1.00 SRC (0.76) SRCABL1EGFRKDRPIK3CD
SCHEMBL409036 0.88 SRC (0.80) SRCABL1EGFRKDRPIK3CD
SCHEMBL409486 0.86 SRC (1.00) SRCABL1EGFRKDRPIK3CD
SCHEMBL13019676 0.85 SRC (0.76) SRCABL1EGFRKDRPIK3CD
SCHEMBL5620074 0.85 SRC (0.78) SRCABL1EGFRKDRPIK3CD
SCHEMBL409031 0.84 SRC (1.00) SRCABL1EGFRKDRPIK3CD
SCHEMBL130589 0.84 PIK3CG (0.74) SRCABL1EGFRKDRPIK3CD
SCHEMBL14617301 0.83 SRC (0.89) SRCABL1EGFRKDRPIK3CD
SCHEMBL3610160 0.82 SRC (0.95) SRCABL1EGFRKDRPIK3CD
SCHEMBL1963186 0.81 SRC (0.74) SRCABL1EGFRKDRPIK3CD

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
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
CN-110548032-B Application of pyrazolopyrimidine compound in preparation of medicines for preventing/treating tumors 四川大学华西医院 2023-05-05 CN disclosed
CN-110551130-B Three-dimensional network structure crystal with high porosity and preparation method thereof 四川大学华西医院 2022-04-19 CN disclosed