SCHEMBL4557563

SCHEMBL4557563

Cc1n[nH]cc1-c1ccc2c(c1)CCN(C(=O)c1cc3ccc(Cl)cn3n1)C2C.Cc1n[nH]cc1-c1cccc2c1CCN(C(=O)c1cc3ccc(Br)cn3n1)C2C.Cc1n[nH]cc1-c1cccc2c1CCN(C(=O)c1cc3ccc(Cl)cn3n1)C2C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.31
PARP1 P09874 1/20 0.30
SPR P35270 3/20 0.30
GRM5 P41594 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
SCHEMBL3812986 0.89 MAPK1 (0.34) DRD1PARP1SPRGRM5
SCHEMBL3813694 0.89 KMT2A (0.35) DRD1PARP1SPRGRM5
SCHEMBL3821854 0.89 GRM5 (0.31) GRM5
SCHEMBL3820726 0.89 HTT (0.35) SPRGRM5
SCHEMBL4559837 0.86 DRD1 (0.34) DRD1SPR
SCHEMBL3811690 0.85 MAPK1 (0.35) PARP1SPRGRM5
SCHEMBL3810604 0.84 KMT2A (0.36) PARP1SPR
SCHEMBL4181173 0.82 BRD4 (0.33)
SCHEMBL3813237 0.81 GRM5 (0.33) PARP1SPRGRM5
SCHEMBL3810606 0.81 PARP1 (0.36) DRD1PARP1SPRGRM5

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-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed