Nitrous Acid

Nitrous Acid

SCHEMBL17451284

CCC(C1CCN(C(=O)c2ccccc2)CC1)n1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cn1.O=NO

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 19/20 0.50
▸ JAK3 P52333 11/20 0.47
▸ JAK1 P23458 4/20 0.47
▸ TYK2 P29597 3/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ NCOR1 O75376 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ PLK4 O00444 2/20 0.47
▸ CIT O14578 2/20 0.47
▸ GAK O14976 2/20 0.47
▸ ROCK2 O75116 2/20 0.47
▸ PRKD3 O94806 2/20 0.47
▸ CSNK2A2 P19784 2/20 0.47
▸ MARK3 P27448 2/20 0.47
▸ MAPK8 P45983 2/20 0.47
▸ NEK3 P51956 2/20 0.47
▸ IKBKE Q14164 2/20 0.47

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
SCHEMBL2356073 0.91 JAK2 (0.54) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL2359102 0.82 JAK2 (0.54) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL3307295 0.81 JAK2 (0.51) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL13846212 0.80 JAK2 (0.48) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL3711778 0.80 JAK2 (0.49) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL2356895 0.79 CDK2 (0.51) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL2356388 0.79 JAK2 (0.58) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL13846262 0.78 JAK2 (0.44) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL13846274 0.78 JAK2 (0.56) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL3719159 0.78 JAK2 (0.46) JAK2JAK3JAK1TYK2HDAC1

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-2220068-B1 4-PYRAZOLYL-N-ARYLPYRIMIDIN-2-AMINES AND 4-PYRAZOLYL-N-HETEROARYLPYRIMIDIN-2-AMINES AS JANUS KINASE INHIBITORS INCYTE HOLDINGS CORP (US) 2016-01-27 — — EP disclosed
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