SCHEMBL28451646

SCHEMBL28451646

CC(C)n1nc(-c2ccc(O)c([N+](=O)[O-])c2)c2c(N)ncnc21

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 0.69
SRC P12931 20/20 0.69
PIK3CD O00329 19/20 0.69
PIK3CA P42336 19/20 0.69
PIK3CB P42338 19/20 0.69
PRKDC P78527 19/20 0.69
PIK3CG P48736 18/20 0.69
EGFR P00533 18/20 0.69
HCK P08631 18/20 0.69
KDR P35968 18/20 0.69
MTOR P42345 18/20 0.69
EPHB4 P54760 18/20 0.69
PI4KB Q9UBF8 16/20 0.69
BACE1 P56817 1/20 0.66

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
SCHEMBL28456717 0.86 SRC (0.74) ABL1SRCPIK3CDPIK3CAPIK3CB
SCHEMBL24096879 0.85 SRC (0.69) ABL1SRCPIK3CDPIK3CAPIK3CB
SCHEMBL24096736 0.85 SRC (0.72) ABL1SRCPIK3CDPIK3CAPIK3CB
SCHEMBL28897482 0.83 SRC (0.82) ABL1SRCPIK3CDPIK3CAPIK3CB
SCHEMBL29999315 0.82 SRC (0.69) ABL1SRCPIK3CDPIK3CAPIK3CB
SCHEMBL1319283 0.82 SRC (0.69) ABL1SRCPIK3CDPIK3CAPIK3CB
SCHEMBL3603461 0.81 PIK3CD (1.00) ABL1SRCPIK3CDPIK3CAPIK3CB
SCHEMBL3609552 0.81 SRC (1.00) ABL1SRCPIK3CDPIK3CAPIK3CB
SCHEMBL29387520 0.79 ABL1 (1.00) ABL1SRCPIK3CDPIK3CAPIK3CB
SCHEMBL3607753 0.79 PIK3CD (1.00) ABL1SRCPIK3CDPIK3CAPIK3CB

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