SCHEMBL14655320

SCHEMBL14655320

NC(=O)[CH]C(=O)N1CC[C@@H](C(F)(F)F)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.42
DPP8 Q6V1X1 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
VNN1 O95497 2/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN9A Q15858 1/20 0.33
BTK Q06187 2/20 0.32
TEAD1 P28347 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
SCHEMBL14655486 0.80 DPP4 (0.44) DPP8DPP7
SCHEMBL14655514 0.80 DPP4 (0.44) DPP8DPP7
SCHEMBL29359207 0.80 SPR (0.47) SPRDPP8DPP7RXFP1VNN1
SCHEMBL22488585 0.80 SPR (0.47) SPRDPP8DPP7RXFP1VNN1
SCHEMBL27897406 0.77 SPR (0.48) SPRDPP8DPP7RXFP1VNN1
SCHEMBL14655504 0.77 DPP4 (0.41) DPP7
SCHEMBL4218523 0.76 SPR (0.47) SPRDPP8DPP7RXFP1VNN1
SCHEMBL4550272 0.74 SPR (0.46) SPRDPP8DPP7RXFP1VNN1
SCHEMBL18312206 0.74 SPR (0.41) SPRDPP8DPP7RXFP1VNN1
SCHEMBL18701882 0.71 SPR (0.43) SPRRXFP1VNN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US claimed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP claimed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed