SCHEMBL624009

SCHEMBL624009

CN(CC1CCNCC1)c1nn2cc(-c3cccc(OC(F)(F)F)c3)nc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.44
TYRO3 Q06418 1/20 0.42
F2RL3 Q96RI0 6/20 0.41
PIM3 Q86V86 3/20 0.39
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
KDR P35968 1/20 0.38
MAPT P10636 2/20 0.38
FLT3 P36888 2/20 0.37
KCNH2 Q12809 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
DYRK1A Q13627 1/20 0.37
FYN P06241 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL625331 0.84 PIM1 (0.45) PIM1F2RL3MAPTKCNH2PIM2
SCHEMBL624904 0.84 F2RL3 (0.41) PIM1F2RL3PIM3FGFR1FGFR2
SCHEMBL624008 0.83 PIM1 (0.56) PIM1PIM3FLT3KCNH2PIM2
SCHEMBL625504 0.81 PIM1 (0.56) PIM1TYRO3F2RL3PIM3FLT3
Hydrochloric Acid SCHEMBL625023 0.77 PIM1 (0.45) PIM1TYRO3F2RL3PIM3FLT3
SCHEMBL623014 0.77 F2RL3 (0.42) PIM1F2RL3PIM3MAPTFLT3
SCHEMBL623580 0.74 PIM1 (0.40) PIM1TYRO3PIM3MAPTFLT3
SCHEMBL1945253 0.74 PIM1 (0.47) PIM1F2RL3PIM3FLT3KCNH2
SCHEMBL624816 0.73 PIM1 (0.51) PIM1TYRO3F2RL3PIM3FLT3
SCHEMBL623807 0.73 ALDH1A1 (0.40) PIM1TYRO3F2RL3FGFR1KDR

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