Bicarbonate

Bicarbonate

SCHEMBL29175930

Ic1nn(C2CC2)c2ncncc12.N.O=C(O)O.O=C(O)O

nearest known ligand 0.44

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
▸ GSK3B known ✓ P49841 1/20 0.44
▸ JAK2 O60674 3/20 0.44
▸ RET P07949 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ CLK4 Q9HAZ1 2/20 0.44
▸ NTRK1 P04629 2/20 0.44
▸ CDC7 O00311 1/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ DYRK3 O43781 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ INSR P06213 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ ROS1 P08922 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ FER P16591 1/20 0.44
▸ PRKACA P17612 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44

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
SCHEMBL16752366 0.76 CDC7 (0.36) JAK2RETMAPK1CLK4NTRK1
Bicarbonate SCHEMBL29175945 0.75 ATR (0.45) LCKFYNSRCFERKDR
SCHEMBL30563702 0.67 — —
SCHEMBL25379973 0.67 — —
SCHEMBL30563701 0.67 — —
SCHEMBL19250519 0.67 ADORA2A (0.37) JAK2RETSRCKDRALDH1A1
SCHEMBL21159267 0.67 ALDH1A1 (0.47) CYP1A2CYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL21159325 0.67 ABL1 (0.41) JAK2RETLCKSRCKDR
SCHEMBL28757134 0.66 RET (0.73) JAK2RETMAPK1CLK4NTRK1
SCHEMBL19332686 0.65 JAK2 (0.50) JAK2BLKJAK3EGFRJAK1

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-117597346-A NEK7 inhibitors 哈利亚治疗公司 2024-02-23 — — CN disclosed
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