Bicarbonate

Bicarbonate

SCHEMBL1552842

Nc1nccn2c(C3CCC3)nc(-c3cc4cccc(Cl)c4[nH]3)c12.O=C(O)O

nearest known ligand 0.87

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.87
PIK3CB P42338 1/20 0.87
MTOR P42345 1/20 0.87
PIK3CG P48736 1/20 0.87
PRKDC P78527 1/20 0.87
RICTOR Q6R327 1/20 0.87
RPTOR Q8N122 1/20 0.87
MAPKAP1 Q9BPZ7 1/20 0.87
MLST8 Q9BVC4 1/20 0.87
FGFR1 P11362 3/20 0.60
TNK2 Q07912 12/20 0.59
IGF1R P08069 3/20 0.55
RAF1 P04049 2/20 0.55
SRC P12931 2/20 0.55
PDPK1 O15530 1/20 0.55
ABL1 P00519 1/20 0.55
EGFR P00533 1/20 0.55
INSR P06213 1/20 0.55
KDR P35968 1/20 0.55
MAP2K1 Q02750 1/20 0.55

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
SCHEMBL6942650 0.95 PIK3CA (0.81) PIK3CAPIK3CBMTORPIK3CGPRKDC
SCHEMBL31060723 0.93 PIK3CA (1.00) PIK3CAPIK3CBMTORPIK3CGPRKDC
SCHEMBL6941915 0.93 PIK3CA (1.00) PIK3CAPIK3CBMTORPIK3CGPRKDC
SCHEMBL6944351 0.93 PIK3CA (1.00) PIK3CAPIK3CBMTORPIK3CGPRKDC
SCHEMBL8076972 0.93 PIK3CA (1.00) PIK3CAPIK3CBMTORPIK3CGPRKDC
SCHEMBL12708863 0.93 PIK3CA (0.80) PIK3CAPIK3CBMTORPIK3CGPRKDC
SCHEMBL15071027 0.91 PIK3CA (0.82) PIK3CAPIK3CBMTORPIK3CGPRKDC
SCHEMBL6940188 0.90 PIK3CA (0.88) PIK3CAPIK3CBMTORPIK3CGPRKDC
SCHEMBL593779 0.90 PIK3CA (0.85) PIK3CAPIK3CBMTORPIK3CGPRKDC
SCHEMBL593778 0.90 PIK3CA (0.85) PIK3CAPIK3CBMTORPIK3CGPRKDC

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
EP-1951724-B1 FUSED BICYCLIC mTOR INHIBITORS OSI PHARM INC (US) 2011-04-27 EP claimed