SCHEMBL14966145

SCHEMBL14966145

O=C(NC1CC1)c1cc(-c2ccc(CN3CCOc4nc([N+](=O)[O-])cn4CC3)cn2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.43
FGFR2 P21802 2/20 0.43
FGFR3 P22607 2/20 0.43
MCHR1 Q99705 1/20 0.38
ACVR1 Q04771 6/20 0.38
CCR3 P51677 2/20 0.37
USP30 Q70CQ3 1/20 0.35
BMPR1B O00238 2/20 0.35
BMPR1A P36894 2/20 0.35
TGFBR1 P36897 2/20 0.35
ACVRL1 P37023 2/20 0.35
PDE4B Q07343 2/20 0.35
CDC7 O00311 1/20 0.35
PLK4 O00444 1/20 0.35
STK25 O00506 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
GAK O14976 1/20 0.35
EPHB6 O15197 1/20 0.35
BUB1 O43683 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
SCHEMBL14965814 0.97 FGFR1 (0.41) FGFR1FGFR2FGFR3MCHR1ACVR1
SCHEMBL14965509 0.94 FGFR1 (0.42) FGFR1FGFR2FGFR3MCHR1ACVR1
SCHEMBL14965487 0.92 FGFR1 (0.39) FGFR1FGFR2FGFR3MCHR1ACVR1
SCHEMBL14965822 0.91 FGFR1 (0.45) FGFR1FGFR2FGFR3MCHR1CCR3
SCHEMBL14965970 0.89 MTOR (0.39) MCHR1ACVR1CDK4CDK6MELK
SCHEMBL14966157 0.89 AVPR1B (0.38) MCHR1CDK4CDK6MERTKMELK
SCHEMBL14965650 0.88 CNR1 (0.42) FGFR1FGFR2FGFR3MCHR1CCR3
SCHEMBL14966086 0.86 FGFR1 (0.38) FGFR1FGFR2FGFR3CCR3USP30
SCHEMBL14965678 0.86 MTOR (0.37) MCHR1MAP4K4CDK4CDK6MELK
SCHEMBL14965844 0.86 LMNA (0.35) MCHR1JAK2JAK1TYK2JAK3

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
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