SCHEMBL623577

SCHEMBL623577

CN(C)C(=O)CN1CCC(CNc2nn3c(-c4cccc(C(F)(F)F)c4)cnc3s2)CC1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FYN P06241 16/20 0.63
PIM1 P11309 3/20 0.50
MKNK1 Q9BUB5 1/20 0.48

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
SCHEMBL623846 0.88 FYN (0.57) FYNPIM1MKNK1
SCHEMBL625204 0.87 FYN (0.60) FYNPIM1MKNK1
SCHEMBL624030 0.87 FYN (0.59) FYNPIM1MKNK1
SCHEMBL17004609 0.86 FYN (0.67) FYNPIM1MKNK1
SCHEMBL623578 0.83 F2RL3 (0.48) FYNPIM1
SCHEMBL628028 0.83 FYN (0.56) FYNPIM1MKNK1
SCHEMBL623881 0.83 FYN (0.60) FYNPIM1MKNK1
SCHEMBL1946065 0.82 FYN (0.68) FYNPIM1MKNK1
SCHEMBL1946037 0.78 FYN (1.00) FYNPIM1MKNK1
SCHEMBL2257604 0.76 MKNK1 (0.77) FYNPIM1MKNK1

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