SCHEMBL22087745

SCHEMBL22087745

CN(c1ncccn1)C1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 8/20 0.58
GPR119 Q8TDV5 5/20 0.55
VNN1 O95497 1/20 0.54
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47

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
SCHEMBL21783090 1.00 USP30 (0.58) USP30GPR119VNN1JAK2JAK1
SCHEMBL21790196 0.88 VNN1 (0.51) USP30GPR119VNN1JAK2JAK1
SCHEMBL10223191 0.88 USP30 (0.53) USP30GPR119VNN1JAK2JAK1
SCHEMBL28834232 0.82 USP30 (0.52) USP30GPR119VNN1JAK2JAK1
SCHEMBL28834231 0.82 USP30 (0.52) USP30GPR119VNN1JAK2JAK1
SCHEMBL13326823 0.82 GPR119 (0.53) USP30GPR119JAK2JAK1
SCHEMBL972277 0.82 GPR119 (0.53) USP30GPR119JAK2JAK1
SCHEMBL1307415 0.81 GPR119 (0.60) USP30GPR119MEN1KMT2A
SCHEMBL29862618 0.81 USP30 (0.48) USP30GPR119VNN1JAK2JAK1
SCHEMBL28834263 0.81 USP30 (0.48) USP30GPR119VNN1JAK2JAK1

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-2020114943-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-11 WO disclosed