SCHEMBL627333

SCHEMBL627333

Nc1ccc(-c2cnc3sc(N[C@H]4CC[C@H](O)CC4)nn23)cn1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FYN P06241 16/20 0.74
HASPIN Q8TF76 1/20 0.60
MKNK1 Q9BUB5 1/20 0.44
PIM1 P11309 2/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL627335 1.00 FYN (0.74) FYNHASPINMKNK1PIM1KCNH2
SCHEMBL1946949 0.85 FYN (1.00) FYNHASPINMKNK1PIM1KCNH2
SCHEMBL1944213 0.84 FYN (0.81) FYNHASPINMKNK1PIM1KCNH2
SCHEMBL1946263 0.84 FYN (1.00) FYNHASPIN
SCHEMBL30521677 0.84 FYN (1.00) FYNHASPIN
SCHEMBL1946927 0.84 FYN (0.80) FYNHASPINMKNK1PIM1KCNH2
SCHEMBL1945406 0.81 FYN (0.76) FYNHASPINMKNK1
SCHEMBL1944688 0.81 FYN (1.00) FYNHASPINPIM1KCNH2
SCHEMBL1946141 0.81 FYN (0.71) FYNHASPINPIM1KCNH2
SCHEMBL627334 0.80 FYN (0.50) FYNHASPIN

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-2012020215-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed