SCHEMBL13735546

SCHEMBL13735546

NC(=O)c1n[nH]cc1-c1c[nH]nc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDPK1 O15530 2/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
CCNC P24863 2/20 0.31
CDK8 P49336 2/20 0.31
THRB P10828 1/20 0.31
RAB9A P51151 1/20 0.31
GDA Q9Y2T3 1/20 0.30

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
SCHEMBL954343 0.82 BCAT2 (0.47) PDPK1JAK3
SCHEMBL13735539 0.81 LRRK2 (0.39) CCNCCDK8
SCHEMBL3391817 0.80 CDC7 (0.42) MEN1KMT2A
SCHEMBL168619 0.80 GRM2 (0.41) IDO1
SCHEMBL956225 0.79
SCHEMBL9799881 0.79 ALDH1A1 (0.34) IDO1MEN1KMT2APDPK1
SCHEMBL16209016 0.78 KDM4E (0.36) KMT2A
SCHEMBL169575 0.78 NTRK1 (0.38)
SCHEMBL12655180 0.77
SCHEMBL169065 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699561-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES Orion Corporation (FI) 2014-02-26 EP claimed
WO-2012143599-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORPORATION (FI) 2012-10-26 WO claimed
EP-2699561-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES Orion Corporation (FI) 2014-02-26 EP disclosed
WO-2012143599-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORPORATION (FI) 2012-10-26 WO disclosed