SCHEMBL14965487

SCHEMBL14965487

O=C(NC1CCC1)c1ccc(-c2ccc(CN3CCOc4nc([N+](=O)[O-])cn4CC3)cn2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
MAPK1 P28482 3/20 0.39
MET P08581 2/20 0.38
USP30 Q70CQ3 1/20 0.37
MCHR1 Q99705 3/20 0.37
CCR3 P51677 1/20 0.36
CHRM1 P11229 3/20 0.36
TTK P33981 2/20 0.36
ACKR3 P25106 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ACVR1 Q04771 1/20 0.35

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
SCHEMBL14965509 0.97 FGFR1 (0.42) FGFR1FGFR2FGFR3MAPK1MET
SCHEMBL14965814 0.94 FGFR1 (0.41) FGFR1FGFR2FGFR3MCHR1CCR3
SCHEMBL14966145 0.92 FGFR1 (0.43) FGFR1FGFR2FGFR3METUSP30
SCHEMBL14965563 0.92 MCHR1 (0.42) FGFR1FGFR2FGFR3METMCHR1
SCHEMBL14965830 0.89 AVPR1B (0.36) MAPK1METMCHR1
SCHEMBL14965805 0.89 DHODH (0.36) METMCHR1CHRM1
SCHEMBL14965597 0.88 MTOR (0.39) MAPK1METMCHR1ACVR1
SCHEMBL14965517 0.88 FGFR1 (0.40) FGFR1FGFR2FGFR3MAPK1MET
SCHEMBL14965820 0.87 JAK2 (0.37) MET
SCHEMBL14965650 0.86 CNR1 (0.42) FGFR1FGFR2FGFR3MCHR1CCR3

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