SCHEMBL3815564

SCHEMBL3815564

O=C(c1cc2ccc(Br)cn2n1)N1CCn2c(nnc2-c2cccs2)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 15/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
ERG P11308 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KCNH2 Q12809 1/20 0.46
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
GRM5 P41594 1/20 0.38
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3810732 0.89 TACR3 (0.47) TACR3CYP1A2CYP3A4ERGCYP2C9
SCHEMBL929404 0.86 GRM5 (0.55) TACR3CYP1A2CYP3A4ERGCYP2C9
SCHEMBL3819285 0.85 P2RX7 (0.46) TACR3P2RX7
SCHEMBL3815725 0.84 P2RX7 (0.41) TACR3CYP1A2CYP3A4ERGCYP2C9
SCHEMBL3815009 0.83 P2RX7 (0.39) TACR3LMNATSHRP2RX7ALDH1A1
SCHEMBL3818093 0.83 P2RX7 (0.43) TACR3CYP1A2CYP2C19LMNATSHR
SCHEMBL3811139 0.83 ABL1 (0.39) CYP1A2CYP3A4CYP2C9CYP2C19ABL1
SCHEMBL3813994 0.82 P2RX7 (0.51) TACR3LMNATSHRHPGDGRM5
SCHEMBL3816162 0.82 P2RX7 (0.50) TACR3P2RX7
SCHEMBL3810407 0.82 P2RX7 (0.51) TACR3CYP1A2CYP2C19LMNATSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2090576-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) 2009-08-19 EP claimed
EP-2090576-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) 2009-08-19 EP disclosed
EP-2090576-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) 2009-08-19 EP disclosed
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