SCHEMBL14965831

SCHEMBL14965831

O=C(NC1CC1)c1ccc(-c2cccc(CN3CCOc4nc([N+](=O)[O-])cn4CC3)n2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
MAPK1 P28482 3/20 0.36
MET P08581 3/20 0.35
USP30 Q70CQ3 2/20 0.35
TTK P33981 5/20 0.35
CCR3 P51677 1/20 0.34
AKT1 P31749 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL14966086 0.94 FGFR1 (0.38) FGFR1FGFR2FGFR3USP30TTK
SCHEMBL14965762 0.89 MTOR (0.39) MAPK1MET
SCHEMBL14966213 0.89 HDAC4 (0.37) MAPK1METCYP3A4
SCHEMBL14965517 0.86 FGFR1 (0.40) FGFR1FGFR2FGFR3MAPK1MET
SCHEMBL14965509 0.86 FGFR1 (0.42) FGFR1FGFR2FGFR3MAPK1MET
SCHEMBL14965570 0.86 JAK2 (0.36) MET
SCHEMBL14966353 0.86 JAK2 (0.37) MET
SCHEMBL14965563 0.85 MCHR1 (0.42) FGFR1FGFR2FGFR3METCCR3
SCHEMBL14966153 0.84 JAK2 (0.38) METALDH1A1
SCHEMBL14965487 0.84 FGFR1 (0.39) FGFR1FGFR2FGFR3MAPK1MET

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
WO-2013072903-A1 NITROIMIDAZOXADIAZOCINE COMPOUNDS ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) 2013-05-23 WO claimed
WO-2013072903-A1 NITROIMIDAZOXADIAZOCINE COMPOUNDS ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) 2013-05-23 WO disclosed
WO-2013072903-A1 NITROIMIDAZOXADIAZOCINE COMPOUNDS ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) 2013-05-23 WO disclosed