SCHEMBL4181173

SCHEMBL4181173

Cc1noc(C)c1-c1ccc2c(c1)C(C)N(C(=O)c1cc3ccc(Cl)cn3n1)CC2.Cc1noc(C)c1-c1ccc2c(c1)CCN(C(=O)c1cc3ccc(Br)cn3n1)C2C.Cc1noc(C)c1-c1ccc2c(c1)CCN(C(=O)c1cc3ccc(Cl)cn3n1)C2C.Cc1noc(C)c1-c1cccc2c1CCN(C(=O)c1cc3ccc(Br)cn3n1)C2C.Cc1noc(C)c1-c1cccc2c1CCN(C(=O)c1cc3ccc(Cl)cn3n1)C2C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.33
UCHL1 P09936 2/20 0.32
GPR84 Q9NQS5 1/20 0.31
FFAR2 O15552 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3R2 O00459 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
PIK3R5 Q8WYR1 1/20 0.31
PIK3R3 Q92569 1/20 0.31
FTO Q9C0B1 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
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
SCHEMBL3818004 0.88 UCHL1 (0.39) BRD4UCHL1PIK3CDPIK3R2PIK3CA
SCHEMBL3820974 0.88 UCHL1 (0.39) UCHL1FFAR2PIK3CDPIK3R2PIK3CA
SCHEMBL3817877 0.87 UCHL1 (0.40) BRD4UCHL1GPR84FFAR2
SCHEMBL3811906 0.87 BRD4 (0.41) BRD4UCHL1
SCHEMBL3817108 0.87 UCHL1 (0.40) BRD4UCHL1GPR84
SCHEMBL3815242 0.86 BRD4 (0.42) BRD4UCHL1FFAR2
SCHEMBL4557563 0.82 DRD1 (0.31)
SCHEMBL4464614 0.78 ALDH1A1 (0.34) NPSR1TRPC3TRPC6
SCHEMBL1010230 0.77 GRM5 (0.44) UCHL1
SCHEMBL1013247 0.77 GRM5 (0.41) UCHL1CYP3A4CYP2D6CYP2C9CYP2C19

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