SCHEMBL4464614

SCHEMBL4464614

CC1c2cc(Cl)ccc2CCN1C(=O)c1cc2ccc(Cl)cn2n1.Cc1ccc2c(c1)C(C)N(C(=O)c1cc3ccc(Br)cn3n1)CC2.Cc1cccc2c1CCN(C(=O)c1cc3ccc(Br)cn3n1)C2C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DRD1 P21728 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 3/20 0.32
TP53 P04637 2/20 0.32
GRM5 P41594 4/20 0.32
STAT3 P40763 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.31
TRPC3 Q13507 1/20 0.30
TRPC6 Q9Y210 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
SCHEMBL3817104 0.87 ALDH1A1 (0.36) ALDH1A1LMNATSHRMAPK1NPSR1
SCHEMBL3815643 0.87 MAPT (0.38) ALDH1A1LMNATSHRMAPK1NPSR1
SCHEMBL3814000 0.87 GRM5 (0.39) LMNAMAPK1DRD1KMT2AMEN1
SCHEMBL3810902 0.86 KMT2A (0.41) ALDH1A1LMNATSHRMAPK1KMT2A
SCHEMBL4073986 0.86 GRM5 (0.45) ALDH1A1TSHRKMT2AMAPTGRM5
SCHEMBL3810668 0.85 KMT2A (0.41) ALDH1A1LMNATSHRMAPK1DRD1
SCHEMBL3818792 0.83 KMT2A (0.39) LMNAMAPK1DRD1KMT2AMEN1
SCHEMBL3816607 0.83 KMT2A (0.42) LMNAMAPK1DRD1KMT2AMEN1
SCHEMBL3813529 0.82 F11 (0.40) ALDH1A1TSHRMAPK1NPSR1DRD1
SCHEMBL3819045 0.80 GRM5 (0.36) ALDH1A1LMNATSHRMAPK1MAPT

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