SCHEMBL625249

SCHEMBL625249

FC(F)(F)Oc1cccc(-c2cn3nc(N4CCCC5(CCCN5)CC4)sc3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 3/20 0.48
THRB P10828 2/20 0.39
F2RL3 Q96RI0 3/20 0.39
MAPT P10636 5/20 0.38
XDH P47989 1/20 0.36
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
SCN9A Q15858 2/20 0.35
PIM1 P11309 1/20 0.35
SCN4A P35499 1/20 0.35
PIM3 Q86V86 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
SCHEMBL625248 0.85 PIM2 (0.51) PIM2PIM1PIM3
SCHEMBL623949 0.84 PIM1 (0.47) PIM2THRBF2RL3MAPTXDH
SCHEMBL624740 0.83 PIM1 (0.48) PIM2THRBF2RL3MAPTXDH
SCHEMBL623207 0.81 PIM1 (0.48) PIM2THRBF2RL3MAPTXDH
SCHEMBL625255 0.80 PIM3 (0.48) PIM2THRBF2RL3MAPTXDH
SCHEMBL624450 0.78 PIM1 (0.54) PIM2THRBMAPTDGAT2PIM1
SCHEMBL625512 0.76 THRB (0.44) THRBF2RL3MAPTRXFP1PIM1
SCHEMBL623867 0.76 PIM1 (0.44) THRBF2RL3MAPTXDHRXFP1
SCHEMBL625777 0.76 MAPT (0.56) THRBMAPTDGAT2
SCHEMBL624528 0.75 CYP3A4 (0.41) THRBMAPTHCRTR1HCRTR2RXFP1

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-2012020217-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed