SCHEMBL625561

SCHEMBL625561

FC(F)(F)Oc1cccc(-c2cn3nc(NC4CC5(CCNCC5)C4)sc3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 14/20 0.49
PIM3 Q86V86 3/20 0.49
FLT3 P36888 2/20 0.49
PIM2 Q9P1W9 2/20 0.49
F2RL3 Q96RI0 2/20 0.39
TYRO3 Q06418 1/20 0.39
KCNH2 Q12809 2/20 0.39
XDH P47989 1/20 0.37
PLAT P00750 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
Hydrochloric Acid SCHEMBL625023 0.88 PIM1 (0.45) PIM1PIM3FLT3PIM2F2RL3
SCHEMBL624816 0.88 PIM1 (0.51) PIM1PIM3FLT3PIM2F2RL3
SCHEMBL625549 0.87 F2RL3 (0.51) PIM1PIM3FLT3PIM2F2RL3
SCHEMBL625296 0.86 F2RL3 (0.38) PIM1PIM3FLT3PIM2F2RL3
SCHEMBL625490 0.86 PIM1 (0.39) PIM1PIM3FLT3PIM2F2RL3
SCHEMBL625496 0.84 PIM1 (0.39) PIM1PIM3F2RL3TYRO3KCNH2
SCHEMBL623722 0.83 PIM1 (0.43) PIM1PIM3FLT3PIM2F2RL3
SCHEMBL1945312 0.83 FYN (0.45) PIM1FLT3PIM2F2RL3KCNH2
SCHEMBL625560 0.83 FYN (0.50) PIM1PIM3FLT3PIM2KCNH2
SCHEMBL624979 0.82 ADORA2A (0.38) PIM1F2RL3XDHPLAT

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