Phosphoric Acid

Phosphoric Acid

SCHEMBL2354953

Cn1cc(-c2ccnn(Cc3cccc(-c4ncc(OCCN5CCOCC5)cn4)c3)c2=O)cn1.O=P(O)(O)O

nearest known ligand 0.53

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Known targets — ChEMBL curated mechanism

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

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

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDR known ✓ P35968 1/20 0.38
▸ MET P08581 10/20 0.53
▸ IRAK4 Q9NWZ3 3/20 0.44
▸ IRAK1 P51617 1/20 0.44
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ GRM4 Q14833 2/20 0.41
▸ RET P07949 2/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38

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
Emd-1204831 SCHEMBL2346403 0.86 MET (0.70) MET
Emd-1204831 SCHEMBL2347708 0.85 MET (0.71) MET
Emd-1204831 SCHEMBL2348922 0.85 MET (0.71) MET
Emd-1204831 SCHEMBL2350245 0.81 MET (0.75) MET
SCHEMBL3088037 0.78 MET (0.69) MET
SCHEMBL1952590 0.77 MET (0.55) METIRAK4IRAK1
SCHEMBL1951931 0.77 MET (0.51) METIRAK4IRAK1KDR
SCHEMBL1579061 0.76 MET (0.64) MET
SCHEMBL1300461 0.75 MET (0.49) METIRAK4IRAK1ROCK2ROCK1
SCHEMBL2456034 0.75 MET (0.69) MET

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-2361250-A1 NOVEL POLYMORPHIC FORMS OF 6-(1-METHYL-1H-PYRAZOL-4-YL)-2-{3-[5-(2-MORPHOLIN-4-YL-ETHOXY)-PYRIMIDIN-2-YL]-BENZYL}-2H-PYRIDAZIN-3-ONE DIHYDROGENPHOSPHATE AND PROCESSES OF MANUFACTURING THEREOF Merck Patent GmbH (DE) 2011-08-31 — — EP disclosed
WO-2010072295-A1 NOVEL POLYMORPHIC FORMS OF 6-(1-METHYL-1H-PYRAZOL-4-YL)-2-{3-[5-(2-MORPHOLIN-4-YL-ETHOXY)-PYRIMIDIN-2-YL]-BENZYL}-2H-PYRIDAZIN-3-ONE DIHYDROGENPHOSPHATE AND PROCESSES OF MANUFACTURING THEREOF MERCK PATENT GMBH (DE) 2010-07-01 — — WO disclosed
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