SCHEMBL4043233

SCHEMBL4043233

Nc1ncc(-c2cnn(C3CCNCC3)c2)nc1-c1nc2cccc(OCC3CCOC3)c2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.54
MAP4K3 Q8IVH8 8/20 0.44
JAK2 O60674 1/20 0.43
ABL1 P00519 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
FGFR1 P11362 6/20 0.43
FGFR2 P21802 6/20 0.43
FGFR3 P22607 6/20 0.43
MET P08581 2/20 0.40
KCNH2 Q12809 2/20 0.40
ALK Q9UM73 1/20 0.39

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
SCHEMBL4035619 0.81 EGFR (0.55) EGFRMAP4K3FGFR1FGFR2FGFR3
SCHEMBL4044869 0.80 MAP4K3 (0.56) EGFRMAP4K3FGFR1FGFR2FGFR3
SCHEMBL4038019 0.79 EGFR (0.80) EGFRFGFR1FGFR2FGFR3MET
SCHEMBL4213635 0.78 EGFR (0.71) EGFR
SCHEMBL4047217 0.78 EGFR (0.73) EGFRFGFR1FGFR2FGFR3
SCHEMBL4048973 0.77 EGFR (0.50) EGFRMAP4K3JAK2ABL1JAK1
SCHEMBL4038434 0.76 EGFR (0.57) EGFRMAP4K3JAK2FGFR1FGFR2
SCHEMBL4042032 0.74 EGFR (0.62) EGFRMAP4K3JAK2JAK1TYK2
SCHEMBL4052067 0.74 EGFR (0.55) EGFRMAP4K3JAK2FGFR1FGFR2
SCHEMBL4052605 0.74 EGFR (0.55) EGFRMAP4K3JAK2JAK1TYK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076558-A1 COMPOSITION COMPRISING NEOPENTASILANE AND METHOD OF PREPARING SAME Dow Corning Corporation (US) 2009-07-08 EP disclosed
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
WO-2008051328-A1 COMPOSITION COMPRISING NEOPENTASILANE AND METHOD OF PREPARING SAME DOW CORNING CORPORATION (US) 2008-05-02 WO disclosed