SCHEMBL627316

SCHEMBL627316

CC(Nc1nn2c(I)cnc2s1)C1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FYN P06241 15/20 0.34
MKNK1 Q9BUB5 2/20 0.33
IDH1 O75874 1/20 0.32
IDH2 P48735 1/20 0.32
HASPIN Q8TF76 1/20 0.30
PI4KA P42356 1/20 0.30

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
SCHEMBL625325 0.80 FYN (0.55) FYNMKNK1HASPIN
SCHEMBL625258 0.76 FYN (0.64) FYN
SCHEMBL625674 0.74 PIK3CA (0.50) FYN
SCHEMBL624007 0.74 PIM1 (0.51) FYNHASPIN
SCHEMBL626888 0.69 AAK1 (0.34)
SCHEMBL623857 0.68 PIM1 (0.33) MKNK1
SCHEMBL626175 0.65 FYN (0.46) FYNMKNK1HASPIN
SCHEMBL1650182 0.65 ALPL (0.46) FYNMKNK1HASPIN
SCHEMBL627167 0.64 FYN (0.46) FYNHASPIN
SCHEMBL628254 0.63 MKNK1 (0.57) 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-2012020215-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed