SCHEMBL30201361

SCHEMBL30201361

CC1CN(C(=O)c2cnc3c(ccn3-c3ccc(C#N)nc3)c2)CCO1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.44
GLRA1 P23415 1/20 0.39
VNN1 O95497 2/20 0.39
MGLL Q99685 4/20 0.38
PDE2A O00408 2/20 0.37
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
TACR3 P29371 1/20 0.35
KDM1A O60341 1/20 0.35
ADORA2A P29274 2/20 0.34
DGAT1 O75907 1/20 0.34

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
SCHEMBL30202246 0.90 HPGD (0.44) HPGDVNN1MGLLNOS1NOS2
SCHEMBL30201251 0.88 HPGD (0.48) HPGDVNN1MGLLNOS1NOS2
SCHEMBL24942866 0.85 HPGD (0.52) HPGDGLRA1VNN1MGLLPDE2A
SCHEMBL29257197 0.85 HPGD (0.52) HPGDGLRA1VNN1MGLLPDE2A
SCHEMBL30201633 0.85 HPGD (0.45) HPGDGLRA1VNN1MGLLDGAT1
SCHEMBL30202213 0.83 HPGD (0.42) HPGDGLRA1VNN1MGLLPDE2A
SCHEMBL23680752 0.83 HPGD (0.63) HPGDMGLLNOS1NOS2ADORA2A
SCHEMBL30201388 0.80 HPGD (0.41) HPGDGLRA1VNN1MGLLPDE2A
SCHEMBL24942867 0.80 HPGD (0.55) HPGDGLRA1VNN1MGLLPDE2A
SCHEMBL29257202 0.80 HPGD (0.55) HPGDGLRA1VNN1MGLLPDE2A

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
CN-118338902-A Pyrrolo [2,3-b ] pyridine PGDH inhibitors and methods of making and using the same 埃皮里姆生物股份有限公司 2024-07-12 CN disclosed
EP-4376841-A1 PYRROLO[2,3-B]PYRIDINE PGDH INHIBITORS AND METHODS OF MAKING AND USING Epirium Bio Inc. (US) 2024-06-05 EP disclosed
WO-2023009642-A1 PYRROLO[2,3-B]PYRIDINE PGDH INHIBITORS AND METHODS OF MAKING AND USING EPIRIUM BIO INC. (US) 2023-02-02 WO disclosed