SCHEMBL624433

SCHEMBL624433

CN(C)c1cccc(-c2cnc3sc(N(C)CC4CCN(C(=O)OC(C)(C)C)CC4)nn23)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.47
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
PTK2 Q05397 1/20 0.45
TGFBR1 P36897 1/20 0.42
GPR119 Q8TDV5 5/20 0.40
MMP13 P45452 2/20 0.39
MMP1 P03956 1/20 0.39
USP30 Q70CQ3 1/20 0.38
PIM1 P11309 2/20 0.38
LIMK2 P53671 1/20 0.38

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
SCHEMBL625330 0.88 PIM1 (0.52) FYNPIM1
SCHEMBL624057 0.85 FYN (0.60) FYNJAK2JAK3PTK2TGFBR1
SCHEMBL624434 0.83 JAK2 (0.48) JAK2JAK3PTK2TGFBR1GPR119
SCHEMBL627187 0.81 GPR119 (0.44) GPR119LIMK2
SCHEMBL623806 0.76 FYN (0.54) FYNPIM1
SCHEMBL625243 0.76 FYN (0.60) FYNJAK2JAK3PTK2
SCHEMBL628028 0.72 FYN (0.56) FYNTGFBR1PIM1
SCHEMBL626982 0.72 FYN (0.56) FYNGPR119PIM1
SCHEMBL625331 0.71 PIM1 (0.45) JAK2JAK3PTK2GPR119MMP13
SCHEMBL624532 0.71 PIM1 (0.62) FYNPIM1

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-2012020217-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed