SCHEMBL4558566

SCHEMBL4558566

CC1c2c(cccc2-c2cnn(C)c2)CCN1C(=O)c1cc2ccc(Br)cn2n1.CC1c2c(cccc2-c2cnn(C)c2)CCN1C(=O)c1cc2ccc(Cl)cn2n1.CC1c2cc(-c3cnn(C)c3)ccc2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.34
WDR77 Q9BQA1 3/20 0.34
GSK3B P49841 3/20 0.32
DYRK1A Q13627 3/20 0.32
DRD1 P21728 3/20 0.32
WNT1 P04628 2/20 0.32
CYP3A4 P08684 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA1B Q00975 1/20 0.32
GRM5 P41594 2/20 0.31
PARP1 P09874 2/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31
TTK P33981 1/20 0.30
HSD11B1 P28845 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
SCHEMBL3816095 0.91 PARP1 (0.36) PRMT5WDR77DRD1CYP3A4HTR2B
SCHEMBL3815120 0.91 DRD1 (0.37) PRMT5WDR77GSK3BDYRK1ADRD1
SCHEMBL4192732 0.88 QRFPR (0.35) PRMT5WDR77GSK3BDYRK1ADRD1
SCHEMBL3818897 0.88 GSK3B (0.37) PRMT5WDR77GSK3BDYRK1AWNT1
SCHEMBL3813823 0.87 GSK3B (0.38) PRMT5WDR77GSK3BDYRK1AWNT1
SCHEMBL4559837 0.84 DRD1 (0.34) DRD1CYP3A4HTR2BCACNA1B
SCHEMBL4551226 0.84 GRM5 (0.43) PRMT5WDR77GRM5
SCHEMBL3821199 0.83 QRFPR (0.38) PRMT5WDR77GSK3BDYRK1ADRD1
SCHEMBL3819778 0.83 GSK3B (0.35) PRMT5WDR77GSK3BDYRK1AWNT1
SCHEMBL3819025 0.81 DRD1 (0.40) DRD1CYP3A4HTR2BCACNA1BGRM5

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