SCHEMBL28897482

SCHEMBL28897482

CC(C)n1nc(-c2ccc(O)c(N)c2)c2c(N)ncnc21

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 0.82
ABL1 P00519 19/20 0.82
PIK3CD O00329 18/20 0.82
PIK3CA P42336 18/20 0.82
PIK3CB P42338 18/20 0.82
PIK3CG P48736 18/20 0.82
PRKDC P78527 18/20 0.82
EGFR P00533 17/20 0.82
HCK P08631 17/20 0.82
KDR P35968 17/20 0.82
MTOR P42345 17/20 0.82
EPHB4 P54760 17/20 0.82
PI4KB Q9UBF8 14/20 0.82
BACE1 P56817 1/20 0.75

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
SCHEMBL3609552 0.90 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL3603461 0.88 PIK3CD (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL3607753 0.86 PIK3CD (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL29387520 0.86 ABL1 (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL409057 0.85 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL3612706 0.85 ABL1 (0.84) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL2434152 0.85 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL28451646 0.83 ABL1 (0.69) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL2468132 0.83 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL24096629 0.83 SRC (0.84) SRCABL1PIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111606910-A Synthesis process of antitumor drug Sapanisiertib 药璞(上海)医药科技有限公司 2020-09-01 CN disclosed