SCHEMBL627111

SCHEMBL627111

CN(c1nn2c(I)cnc2s1)C1CCC(=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
THRB P10828 1/20 0.31
MPO P05164 1/20 0.31

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
SCHEMBL2257063 0.90 LRRK2 (0.31)
SCHEMBL625009 0.82 HSD11B1 (0.31)
SCHEMBL626842 0.82 FYN (0.30)
SCHEMBL626840 0.82 FYN (0.30)
SCHEMBL624134 0.82 NPY5R (0.35)
SCHEMBL627112 0.75 F2RL3 (0.34) MPO
SCHEMBL625050 0.74 PIK3CA (0.53) ALPLALPI
SCHEMBL626175 0.74 FYN (0.46) LMNATHRB
SCHEMBL15324840 0.73 LMNA (0.32) LMNAALPLALPI
SCHEMBL2251785 0.71 FYN (0.46)

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