SCHEMBL626459

SCHEMBL626459

CCOc1cncc(-c2cnc3sc(NCC4CCN(C(=O)OC(C)(C)C)CC4)nn23)c1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FYN P06241 14/20 0.59
MKNK1 Q9BUB5 1/20 0.48
MMP13 P45452 3/20 0.42
GPR119 Q8TDV5 1/20 0.42
ACKR3 P25106 1/20 0.41

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
SCHEMBL626460 0.85 MAPT (0.46) FYNMMP13GPR119
SCHEMBL624532 0.83 PIM1 (0.62) FYN
SCHEMBL624984 0.82 PIK3CA (0.48) FYNMKNK1
SCHEMBL627066 0.81 KDM4E (0.46) FYNMKNK1GPR119ACKR3
SCHEMBL626982 0.81 FYN (0.56) FYNMKNK1GPR119
SCHEMBL624057 0.81 FYN (0.60) FYNMKNK1
SCHEMBL628028 0.81 FYN (0.56) FYNMKNK1
SCHEMBL624885 0.80 FYN (0.51) FYNACKR3
SCHEMBL624884 0.80 FYN (0.51) FYNACKR3
SCHEMBL1945181 0.78 FYN (0.87) 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