SCHEMBL2779561

SCHEMBL2779561

Cc1ccc(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.43
JAK2 O60674 9/20 0.41
JAK1 P23458 9/20 0.41
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TACR1 P25103 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
SCHEMBL29995192 0.90 GPR119 (0.44) GPR119JAK2JAK1HDAC1HDAC2
SCHEMBL7527349 0.90 GPR119 (0.44) GPR119JAK2JAK1HDAC1HDAC2
SCHEMBL1195085 0.88 CYP3A4 (0.48) GPR119JAK2JAK1KMT2A
SCHEMBL28597678 0.88 USP30 (0.46) GPR119JAK2JAK1HDAC1HDAC2
SCHEMBL12877871 0.85 PDK2 (0.44) GPR119JAK2JAK1KMT2AHDAC1
SCHEMBL2468693 0.84 GPR119 (0.43) GPR119JAK2JAK1HDAC1HDAC2
SCHEMBL13845195 0.83 GPR119 (0.39) GPR119JAK2JAK1KMT2A
SCHEMBL22509312 0.82 OPRM1 (0.55) GPR119JAK2JAK1KMT2A
SCHEMBL25388886 0.82 GPR119 (0.43) GPR119JAK2JAK1KMT2AHDAC1
SCHEMBL2778581 0.82 TACR1 (0.45) GPR119KMT2AHDAC1HDAC2TACR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010080873-A1 OXAZOLES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2010-07-15 WO disclosed
WO-2010080873-A1 OXAZOLES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2010-07-15 WO disclosed
WO-2009061881-A1 SPIRODIHYDROBENZOFURANS AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2009-05-14 WO disclosed
WO-2009061881-A1 SPIRODIHYDROBENZOFURANS AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2009-05-14 WO disclosed