SCHEMBL626604

SCHEMBL626604

O=C1CCC(Nc2nn3ccnc3s2)CC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FYN P06241 12/20 0.35
PIM1 P11309 2/20 0.34
HASPIN Q8TF76 1/20 0.32

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
SCHEMBL626147 0.77 GPX4 (0.31)
SCHEMBL21047804 0.64 KDM4E (0.62)
SCHEMBL21047693 0.63 NOS2 (0.51)
SCHEMBL21047854 0.61 NPC1 (0.50)
SCHEMBL21047562 0.60 FDPS (0.37) FYNPIM1
SCHEMBL28283911 0.60 SYK (0.39) PIM1
SCHEMBL21047605 0.60 EPHX2 (0.36) PIM1
SCHEMBL21047645 0.58 MEN1 (0.42) PIM1
SCHEMBL21047563 0.57 PIM1 (0.30) PIM1
SCHEMBL17101636 0.57 MAPK1 (0.62) PIM1

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