Bicarbonate

Bicarbonate

SCHEMBL4064072

N#Cc1cnc(Nc2ccccn2)nc1NC1CCCCC1.O=C(O)O

nearest known ligand 0.52

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
TYRO3 Q06418 4/20 0.52
FLT3 P36888 3/20 0.52
MERTK Q12866 3/20 0.52
GAS6 Q14393 3/20 0.52
SYK P43405 2/20 0.47
AXL P30530 1/20 0.45
F2R P25116 1/20 0.43
CDK4 P11802 4/20 0.43
CCND1 P24385 4/20 0.43
CCND2 P30279 3/20 0.43
CCND3 P30281 3/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
FER P16591 1/20 0.43
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
LRRK2 Q5S007 2/20 0.42
MAPK8 P45983 1/20 0.41

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
SCHEMBL4064070 0.89 TYRO3 (0.53) TYRO3FLT3MERTKGAS6SYK
SCHEMBL14658789 0.76 NPY5R (0.57) TYRO3SYKCTSKMAPK8
SCHEMBL4070567 0.74 CDK4 (0.51) FLT3SYKCDK4CCND1CCND3
SCHEMBL26941974 0.73 CDK2 (0.61) TYRO3FLT3MERTKGAS6AXL
SCHEMBL21596335 0.72 MAPK3 (0.54)
SCHEMBL26762362 0.71 MAPK8 (0.61) TYRO3FLT3MERTKGAS6AXL
SCHEMBL4072083 0.71 CDK4 (0.56) FLT3SYKCDK4CCND1CCND2
SCHEMBL23262220 0.71 PRKCQ (0.51) TYRO3FLT3MERTKGAS6AXL
SCHEMBL4071098 0.71 SYK (0.49) SYKCDK4CCND1CCND2CCND3
SCHEMBL14657206 0.70 MAPK8 (0.64) TYRO3FLT3MERTKGAS6AXL

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-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP claimed