SCHEMBL625325

SCHEMBL625325

CC(Nc1nn2c(-c3ccc(O)cc3)cnc2s1)C1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FYN P06241 17/20 0.55
MKNK1 Q9BUB5 2/20 0.46
HASPIN Q8TF76 1/20 0.39

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
SCHEMBL625258 0.82 FYN (0.64) FYN
SCHEMBL627316 0.80 FYN (0.34) FYNMKNK1HASPIN
SCHEMBL624007 0.78 PIM1 (0.51) FYNHASPIN
SCHEMBL625674 0.77 PIK3CA (0.50) FYN
SCHEMBL1945074 0.74 MKNK1 (0.79) FYNMKNK1
SCHEMBL1944317 0.73 MKNK1 (0.78) FYNMKNK1
SCHEMBL1944905 0.72 FYN (0.80) FYNMKNK1HASPIN
SCHEMBL1946949 0.71 FYN (1.00) FYNMKNK1HASPIN
SCHEMBL625323 0.70 MKNK1 (0.65) FYNMKNK1HASPIN
SCHEMBL1946447 0.69 FYN (0.72) FYNMKNK1

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