SCHEMBL17396409

SCHEMBL17396409

O=C1CNc2nc(Cl)ncc2CN1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
MB P02144 1/20 0.35
JUN P05412 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL17396612 0.71 MKNK2 (0.35) MB
SCHEMBL661744 0.71 KDR (0.42) TYRO3DYRK1BJUNNFKB1NFKB2
SCHEMBL31267899 0.71 TYRO3 (0.37) TYRO3DYRK1BMBJUNNFKB1
SCHEMBL2600058 0.71 NNMT (0.38) TYRO3DYRK1BKDM4E
SCHEMBL18168295 0.70 IDH1 (0.42) TYRO3DYRK1BJUNNFKB1NFKB2
SCHEMBL17396441 0.69 NOS1 (0.35) KDM4E
SCHEMBL30935211 0.68 NNMT (0.41) TYRO3DYRK1BKDM4E
SCHEMBL30555417 0.68 KDM4E (0.32) TYRO3DYRK1BKDM4E
SCHEMBL26627797 0.68 TYRO3 (0.34) TYRO3DYRK1BJUNNFKB1NFKB2
SCHEMBL17396406 0.66 HDAC8 (0.39)

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-2016001077-A1 COMPOUNDS INHIBITING THE ENZYME MONOPOLAR SPINDLE 1 KINASE,PHARMACEUTICAL COMPOSITIONS AND USES THEREOF IEO - ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2016-01-07 WO disclosed