SCHEMBL624030

SCHEMBL624030

FC(F)(F)c1cccc(-c2cnc3sc(NCC4CCN(CC5CC5)CC4)nn23)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FYN P06241 9/20 0.59
MKNK1 Q9BUB5 1/20 0.55
PIM1 P11309 9/20 0.50
CHRM4 P08173 1/20 0.44
KCNH2 Q12809 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42

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
SCHEMBL17004609 0.93 FYN (0.67) FYNMKNK1PIM1KCNH2PIM3
SCHEMBL623846 0.91 FYN (0.57) FYNMKNK1PIM1KCNH2PIM3
SCHEMBL623881 0.87 FYN (0.60) FYNMKNK1PIM1KCNH2PIM3
SCHEMBL623577 0.87 FYN (0.63) FYNMKNK1PIM1
SCHEMBL1946065 0.86 FYN (0.68) FYNMKNK1PIM1KCNH2PIM2
SCHEMBL625204 0.86 FYN (0.60) FYNMKNK1PIM1PIM3PIM2
SCHEMBL628028 0.82 FYN (0.56) FYNMKNK1PIM1KCNH2PIM3
SCHEMBL2257604 0.81 MKNK1 (0.77) FYNMKNK1PIM1
SCHEMBL624031 0.81 F2RL3 (0.50) FYNPIM1CHRM4PIM2
SCHEMBL1947242 0.80 FYN (0.71) FYNMKNK1PIM1KCNH2PIM3

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