SCHEMBL4473093

SCHEMBL4473093

CC1c2cccn2CCN1C(=O)c1cc2c(Cl)cc(Cl)cn2n1.O=C(c1cc2c(Cl)cc(Cl)cn2n1)N1CCn2ccnc2C1.O=C(c1cc2c(Cl)cc(Cl)cn2n1)N1CCn2cnnc2C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.37
SCD5 Q86SK9 1/20 0.37
SPR P35270 2/20 0.36
P2RX7 Q99572 2/20 0.35
SHMT2 P34897 1/20 0.34
SYK P43405 1/20 0.34
NAMPT P43490 2/20 0.33
RIPK1 Q13546 1/20 0.32
PARP1 P09874 1/20 0.31
PIK3CA P42336 3/20 0.31
MTOR P42345 3/20 0.31
SOS1 Q07889 1/20 0.31
NPY1R P25929 1/20 0.31
SCN9A Q15858 1/20 0.31
VNN1 O95497 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
SCHEMBL3810582 0.83 SHMT2 (0.46) P2RX7SHMT2
SCHEMBL3815980 0.81 NAMPT (0.42) SPRP2RX7SYKNAMPTPARP1
SCHEMBL3820161 0.81 SCD (0.47) SCDSCD5SPRP2RX7NAMPT
SCHEMBL3817484 0.73 SHMT2 (0.52) SHMT2
SCHEMBL3812679 0.72 SHMT2 (0.40) SHMT2
SCHEMBL3816976 0.71 NAMPT (0.39) SPRP2RX7SYKNAMPTPARP1
SCHEMBL3815730 0.71 SCD (0.44) SCDSCD5SPRP2RX7SYK
SCHEMBL930779 0.70 GRM5 (0.45) SHMT2
SCHEMBL3813227 0.70 SHMT2 (0.44) SHMT2
SCHEMBL3812163 0.69 NAMPT (0.39) SPRP2RX7SYKNAMPTPARP1

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