SCHEMBL625010

SCHEMBL625010

CN(c1nn2cc(I)nc2s1)C1CCC(C)(O)CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.35
F2RL3 Q96RI0 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
TYR P14679 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
SCHEMBL626841 0.81 F2RL3 (0.33) F2RL3
SCHEMBL623859 0.81 F2RL3 (0.34) F2RL3IRAK4TYR
SCHEMBL627112 0.80 F2RL3 (0.34) F2RL3
SCHEMBL626163 0.79 HSD11B1 (0.32) HSD11B1IRAK4
SCHEMBL625009 0.77 HSD11B1 (0.31) HSD11B1IRAK4
SCHEMBL624133 0.76 RORC (0.34)
SCHEMBL627850 0.76 JAK1 (0.35) IRAK4
SCHEMBL2250793 0.66 DYRK1A (0.32) IRAK4
SCHEMBL2257063 0.65 LRRK2 (0.31) TYR
SCHEMBL626102 0.62

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