SCHEMBL3813684

SCHEMBL3813684

CC1c2nnc(-c3cncnc3)n2CCN1C(=O)c1cc2ccc(Cl)cn2n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 18/20 0.46
TACR2 P21452 12/20 0.46
TACR1 P25103 10/20 0.46
KCNH2 Q12809 5/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP3A4 P08684 1/20 0.41
P2RX7 Q99572 2/20 0.40

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
SCHEMBL3815133 0.91 TACR3 (0.48) TACR3TACR2TACR1KCNH2CYP1A2
SCHEMBL3815625 0.90 TACR3 (0.44) TACR3TACR2TACR1KCNH2CYP1A2
SCHEMBL3815823 0.89 TACR3 (0.42) TACR3TACR2TACR1KCNH2CYP1A2
SCHEMBL3812475 0.87 TACR3 (0.46) TACR3TACR2TACR1KCNH2CYP1A2
SCHEMBL3810312 0.86 TACR3 (0.51) TACR3TACR2TACR1KCNH2CYP1A2
SCHEMBL3820836 0.86 P2RX7 (0.47) TACR3TACR2TACR1KCNH2CYP1A2
SCHEMBL3814056 0.86 TACR3 (0.46) TACR3TACR2TACR1KCNH2CYP1A2
SCHEMBL3812683 0.86 TACR3 (0.47) TACR3TACR2TACR1KCNH2CYP1A2
SCHEMBL928665 0.85 GRM5 (0.44) TACR3TACR2TACR1KCNH2CYP1A2
SCHEMBL3818140 0.84 TACR3 (0.51) TACR3TACR2TACR1KCNH2CYP1A2

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