SCHEMBL624740

SCHEMBL624740

FC(F)(F)Oc1cccc(-c2cn3nc(N4CCC5(CCNC5)CC4)sc3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.48
F2RL3 Q96RI0 3/20 0.40
THRB P10828 2/20 0.40
MAPT P10636 2/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
PIM3 Q86V86 2/20 0.38
SCN4A P35499 1/20 0.38
SCN9A Q15858 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
XDH P47989 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL623949 0.95 PIM1 (0.47) PIM1F2RL3THRBMAPTPIM3
SCHEMBL623207 0.91 PIM1 (0.48) PIM1F2RL3THRBMAPTSLC6A2
SCHEMBL625255 0.87 PIM3 (0.48) PIM1F2RL3THRBMAPTPIM3
SCHEMBL624739 0.84 PIM1 (0.47) PIM1
SCHEMBL625249 0.83 PIM2 (0.48) PIM1F2RL3THRBMAPTPIM3
SCHEMBL625512 0.81 THRB (0.44) PIM1F2RL3THRBMAPTRXFP1
SCHEMBL623867 0.79 PIM1 (0.44) PIM1F2RL3THRBMAPTXDH
SCHEMBL625561 0.79 PIM1 (0.49) PIM1F2RL3PIM3PIM2XDH
SCHEMBL623948 0.79 DYRK1A (0.47) PIM1PIM3
SCHEMBL623996 0.78 THRB (0.42) PIM1F2RL3THRBMAPTHCRTR1

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