SCHEMBL624031

SCHEMBL624031

FC(F)(F)c1cccc(-c2cn3nc(NCC4CCN(CC5CC5)CC4)sc3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 3/20 0.50
CNR2 P34972 1/20 0.44
PIM1 P11309 5/20 0.42
CHRM4 P08173 1/20 0.42
VCP P55072 1/20 0.40
FYN P06241 2/20 0.40
GAA P10253 1/20 0.39
PIM2 Q9P1W9 3/20 0.39
EPHB4 P54760 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
ACHE P22303 2/20 0.38
ACKR3 P25106 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
SCHEMBL17004610 0.93 F2RL3 (0.57) F2RL3CNR2PIM1VCPFYN
SCHEMBL623847 0.91 F2RL3 (0.52) F2RL3CNR2PIM1VCPFYN
SCHEMBL623578 0.87 F2RL3 (0.48) F2RL3PIM1VCPFYNEPHB4
SCHEMBL623883 0.86 F2RL3 (0.52) F2RL3PIM1VCPFYNPIM2
SCHEMBL1946067 0.86 F2RL3 (0.52) F2RL3CNR2PIM1VCPFYN
SCHEMBL625205 0.86 F2RL3 (0.53) F2RL3CNR2PIM1VCPFYN
SCHEMBL628029 0.83 F2RL3 (0.49) F2RL3PIM1GAAACKR3
SCHEMBL2257601 0.82 F2RL3 (0.55) F2RL3VCP
SCHEMBL624030 0.81 FYN (0.59) PIM1CHRM4FYNPIM2
SCHEMBL1947246 0.80 F2RL3 (0.55) F2RL3VCPFYN

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