SCHEMBL623014

SCHEMBL623014

CCS(=O)(=O)N1CCC(N(C)c2nn3cc(-c4cccc(OC(F)(F)F)c4)nc3s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 4/20 0.42
MAPT P10636 4/20 0.38
TP53 P04637 3/20 0.38
GAA P10253 1/20 0.38
EPHX2 P34913 1/20 0.38
FYN P06241 1/20 0.38
THRB P10828 2/20 0.37
PIM1 P11309 4/20 0.37
PIM3 Q86V86 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
FLT3 P36888 1/20 0.37
KCNH2 Q12809 1/20 0.37
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL623013 0.83 PIM1 (0.47) FYNPIM1PIM3PIM2FLT3
SCHEMBL624009 0.77 PIM1 (0.44) F2RL3MAPTTP53GAAFYN
SCHEMBL624837 0.76 PIM1 (0.47) F2RL3PIM1PIM3PIM2FLT3
SCHEMBL625331 0.75 PIM1 (0.45) F2RL3MAPTGAAPIM1PIM2
SCHEMBL624077 0.75 F2RL3 (0.50) F2RL3MAPTTP53GAADYRK1A
SCHEMBL2983371 0.73 MEN1 (0.64) F2RL3MAPTDYRK1A
SCHEMBL14397224 0.72 F2RL3 (0.47) F2RL3MAPTTP53GAAFYN
SCHEMBL624845 0.72 F2RL3 (0.52) F2RL3MAPTTP53GAANPC1
SCHEMBL623580 0.71 PIM1 (0.40) MAPTFYNPIM1PIM3PIM2
SCHEMBL1945253 0.71 PIM1 (0.47) F2RL3PIM1PIM3PIM2FLT3

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