SCHEMBL798868

SCHEMBL798868

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1N(F)S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.45
AAK1 Q2M2I8 1/20 0.38
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
DGAT1 O75907 2/20 0.34
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL24576804 0.88 ALPL (0.47) ALPLAAK1CA1CA2CA9
SCHEMBL28574139 0.81 ALPL (0.43) ALPLAAK1CA1CA2CA9
SCHEMBL9954690 0.78 ALPL (0.57) ALPLAAK1CA1CA2CA9
SCHEMBL28354473 0.77 ALPL (0.42) ALPLAAK1CA1CA2CA9
SCHEMBL3513830 0.77 ALPL (0.41) ALPLAAK1DGAT1GSK3AGSK3B
SCHEMBL29556045 0.75 PIK3CG (0.47) ALPLAAK1
SCHEMBL790736 0.75 PIK3CG (0.47) ALPLAAK1
SCHEMBL9954248 0.75 ALPL (0.54) ALPLAAK1CA1CA2CA9
SCHEMBL109782 0.75 ALPL (0.52) ALPL
SCHEMBL251502 0.74 ALPL (0.45) ALPLAAK1CA1CA2CA9

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
EP-2616468-A1 FUSED HETEROARYLS AND THEIR USES Hutchison Medipharma Limited (CN) 2013-07-24 EP disclosed
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 WO disclosed