SCHEMBL625255

SCHEMBL625255

NC1CC2(CCN(c3nn4cc(-c5cccc(OC(F)(F)F)c5)nc4s3)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.48
THRB P10828 3/20 0.42
MAPT P10636 7/20 0.41
F2RL3 Q96RI0 3/20 0.41
RXFP1 Q9HBX9 1/20 0.38
PIM1 P11309 3/20 0.38
PIM2 Q9P1W9 1/20 0.38
XDH P47989 1/20 0.38
TYRO3 Q06418 1/20 0.37
DPP4 P27487 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL624740 0.87 PIM1 (0.48) PIM3THRBMAPTF2RL3RXFP1
SCHEMBL623949 0.87 PIM1 (0.47) PIM3THRBMAPTF2RL3RXFP1
SCHEMBL623207 0.83 PIM1 (0.48) PIM3THRBMAPTF2RL3RXFP1
SCHEMBL624450 0.83 PIM1 (0.54) THRBMAPTPIM1PIM2DGAT2
SCHEMBL625254 0.83 PIM3 (0.51) PIM3PIM1
SCHEMBL625512 0.82 THRB (0.44) THRBMAPTF2RL3RXFP1PIM1
SCHEMBL625249 0.80 PIM2 (0.48) PIM3THRBMAPTF2RL3RXFP1
SCHEMBL623996 0.79 THRB (0.42) THRBMAPTF2RL3RXFP1PIM1
SCHEMBL623867 0.78 PIM1 (0.44) THRBMAPTF2RL3RXFP1PIM1
SCHEMBL625296 0.77 F2RL3 (0.38) PIM3THRBMAPTF2RL3PIM1

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