SCHEMBL5712167

SCHEMBL5712167

O=[N+]([O-])c1ccc(O[PH](=O)Oc2ccc3[nH]nc(-c4cc5ccccc5[nH]4)c3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 16/20 0.51
▸ FGFR1 P11362 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41

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
SCHEMBL3920838 0.81 ITK (0.49) ITKFGFR1MAPTHPGD
SCHEMBL13844043 0.79 ITK (0.57) ITKFGFR1
SCHEMBL3920806 0.76 ITK (0.58) ITKFGFR1
SCHEMBL3920804 0.76 ITK (0.65) ITKFGFR1
SCHEMBL3921587 0.74 ITK (0.68) ITKFGFR1
SCHEMBL3923370 0.73 ITK (0.62) ITKFGFR1
SCHEMBL3919611 0.71 ITK (0.58) ITKFGFR1
SCHEMBL3918554 0.70 ITK (0.60) ITKFGFR1
SCHEMBL29470244 0.70 ITK (1.00) ITK
SCHEMBL145584 0.70 ITK (1.00) ITK

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-1732938-A1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS Aventis Pharma S.A. (FR) 2006-12-20 — — EP disclosed
WO-2005058923-A1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2005-06-30 — — WO disclosed
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