SCHEMBL625258

SCHEMBL625258

CC(=O)c1cccc(-c2cnc3sc(NC(C)C4CCNCC4)nn23)c1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FYN P06241 19/20 0.64
PIM1 P11309 1/20 0.47
PIM2 Q9P1W9 1/20 0.47

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
SCHEMBL625325 0.82 FYN (0.55) FYN
SCHEMBL624007 0.81 PIM1 (0.51) FYNPIM1PIM2
SCHEMBL623808 0.81 FYN (0.55) FYNPIM1PIM2
SCHEMBL12545618 0.78 FYN (1.00) FYNPIM1PIM2
SCHEMBL1946229 0.78 FYN (0.85) FYNPIM1PIM2
SCHEMBL2250764 0.78 FYN (0.81) FYNPIM1PIM2
SCHEMBL1946859 0.77 FYN (1.00) FYN
SCHEMBL627316 0.76 FYN (0.34) FYN
SCHEMBL625674 0.75 PIK3CA (0.50) FYN
SCHEMBL2252495 0.74 FYN (0.69) FYN

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