Phosphoric Acid

Phosphoric Acid

SCHEMBL1498772

CC(CN1CCN(S(=O)(=O)c2ccn(C)n2)CC1)n1cc(-c2ncnc3[nH]ccc23)cn1.O=P(O)(O)O

nearest known ligand 0.47

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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 20)

geneUniProtsupporting neighboursconfidence
JAK2 known ✓ O60674 17/20 0.47
JAK1 known ✓ P23458 16/20 0.47
JAK3 known ✓ P52333 10/20 0.47
TYK2 known ✓ P29597 5/20 0.47
KIT known ✓ P10721 1/20 0.40
FGFR1 known ✓ P11362 1/20 0.40
HDAC6 Q9UBN7 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
TYRO3 Q06418 2/20 0.41
RET P07949 3/20 0.40
ROCK1 Q13464 3/20 0.40
CIT O14578 2/20 0.40
GAK O14976 2/20 0.40

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
Phosphoric Acid SCHEMBL1499016 1.00 JAK2 (0.47) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL1498869 0.96 JAK2 (0.48) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL2085646 0.87 JAK2 (0.47) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL1498831 0.87 TYRO3 (0.47) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL2084638 0.85 TYRO3 (0.57) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL1499062 0.79 JAK2 (0.47) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL1499140 0.78 JAK2 (0.48) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL12780536 0.78 JAK2 (0.47) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL2086283 0.78 JAK2 (0.43) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL1499221 0.78 JAK2 (0.48) JAK2JAK1JAK3TYK2HDAC6

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
WO-2011028685-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-D]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-03-10 WO disclosed