SCHEMBL5773430

SCHEMBL5773430

Nc1nc(N)c2c(n1)c(I)c(I)c1c2ccn1CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.43
CSNK2A1 P68400 1/20 0.43
SLC2A1 P11166 6/20 0.38
F2R P25116 4/20 0.35
KMT2A Q03164 1/20 0.34
PAX8 Q06710 1/20 0.33

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
SCHEMBL5794868 0.83 KDM4E (0.37) SLC2A1KMT2A
SCHEMBL5795813 0.80 PTPN1 (0.34) SLC2A1KMT2A
SCHEMBL4691127 0.80 SLC2A1 (0.44) SLC2A1F2RPAX8
SCHEMBL23885288 0.72 HDAC6 (0.43) SLC2A1KMT2A
SCHEMBL4694078 0.69 KDM4E (0.42) SLC2A1F2RPAX8
SCHEMBL5796107 0.68 DHFR (0.36) KMT2A
SCHEMBL5798079 0.68 CDK2 (0.39) SLC2A1PAX8
SCHEMBL5796632 0.67 SLC2A1 (0.42) SLC2A1KMT2A
SCHEMBL4689868 0.67 SLC2A1 (0.41) SLC2A1PAX8
SCHEMBL5799326 0.67 FFAR1 (0.43) PAX8

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-1628979-A1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-01 EP disclosed
WO-2004101568-A1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO disclosed