SCHEMBL2645514

SCHEMBL2645514

N#Cc1cnn(-c2cccc(N)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.48
IRAK4 Q9NWZ3 2/20 0.45
USP30 Q70CQ3 2/20 0.43
NOTUM Q6P988 1/20 0.40
MAPT P10636 2/20 0.40
TDP2 O95551 1/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
C1S P09871 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
TSHR P16473 1/20 0.36
EPHX2 P34913 1/20 0.36
DHFR P00374 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL2214866 0.80 GAA (0.53) GRM5USP30MAPTDRD2DRD3
SCHEMBL24913265 0.78 GRM5 (0.45) GRM5USP30NOTUM
SCHEMBL23205936 0.76 GRM5 (0.38) GRM5USP30KMT2AKDM4EMEN1
SCHEMBL1680266 0.74 CYP2A6 (0.49) GRM5IRAK4USP30
SCHEMBL8306137 0.74 KDM4E (0.33) GRM5USP30KDM4E
SCHEMBL19385248 0.73 TP53 (0.54) GRM5MAPTTDP2ALDH1A1
SCHEMBL3921645 0.72 GRM5 (0.58) GRM5IRAK4USP30NOTUMC1S
SCHEMBL12075549 0.71 GRM5 (0.48) GRM5USP30MAPT
SCHEMBL30132085 0.71 HPGDS (0.51) MAPTKMT2AMEN1
SCHEMBL3374557 0.71 ALKBH2 (0.69) MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4100015-A1 COMBINATION THERAPY FOR TREATING MPS1 Gain Therapeutics SA (CH) 2022-12-14 EP disclosed
EP-2190293-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES Absolute Science, INC. (US) 2010-06-02 EP disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 WO disclosed
EP-1244659-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2002-10-02 EP disclosed
WO-2001044244-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2001-06-21 WO disclosed