SCHEMBL14655324

SCHEMBL14655324

C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3cc4nccc(OCC(F)(F)F)c4s3)cnc21

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.36
MST1R Q04912 12/20 0.36
KDR P35968 9/20 0.35
DGAT1 O75907 3/20 0.34
PTPN1 P18031 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
SCHEMBL14655593 0.92 GRIN3B (0.37) METMST1RKDRDGAT1
SCHEMBL14655557 0.87 PTPN1 (0.34) DGAT1PTPN1
SCHEMBL14656033 0.84 SIRT2 (0.34) DGAT1
SCHEMBL2380301 0.81 JAK1 (0.39) METMST1RKDR
SCHEMBL14655329 0.79 DGAT1 (0.43) DGAT1PTPN1
SCHEMBL2380160 0.79 GRIN3B (0.37) METMST1RKDRDGAT1
SCHEMBL2380151 0.79 GRIN3B (0.37) METMST1RKDRDGAT1
SCHEMBL14795118 0.77 DGAT1 (0.34) DGAT1PTPN1
SCHEMBL14655487 0.76 DGAT1 (0.38) DGAT1PTPN1
SCHEMBL14655373 0.75 DGAT1 (0.36) DGAT1PTPN1

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 2 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 disclosed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP disclosed