Sugi Predict

Sugi Predict / Compounds / Bicarbonate

Bicarbonate

Bicarbonate

SCHEMBL5767166

Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Cl)n1.O=C([O-])[O-].[Na+].[Na+]

nearest known ligand 0.59

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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 1)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 20/20 0.59

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
Bicarbonate SCHEMBL5767161 0.97 IGF1R (0.58) IGF1R
SCHEMBL2321718 0.92 IGF1R (0.68) IGF1R
SCHEMBL16246837 0.87 IGF1R (0.62) IGF1R
SCHEMBL16247150 0.85 IGF1R (0.61) IGF1R
SCHEMBL24604553 0.80 HCAR2 (0.54) IGF1R
SCHEMBL31034538 0.80 HCAR2 (0.54) IGF1R
SCHEMBL14723106 0.79 IGF1R (0.54) IGF1R
SCHEMBL2319952 0.79 PIK3C3 (0.55) IGF1R
SCHEMBL5816922 0.77 PIK3C3 (0.54) IGF1R
SCHEMBL3853457 0.77 IGF1R (0.53) IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678169-A1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2006-07-12 — — EP disclosed
WO-2005040159-A1 4-(PYRAZOL-3-YLAMINO) PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2005-05-06 — — WO disclosed