SCHEMBL4182389

SCHEMBL4182389

CC1c2nnc(Br)n2CCN1C(=O)c1cc2ccc(Br)cn2n1.CC1c2nncn2CCN1C(=O)c1cc2ccc(Cl)cn2n1.O=C(c1cc2ccc(Br)cn2n1)N1CCn2c(Br)nnc2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.41
EIF4A3 P38919 5/20 0.33
TACR3 P29371 7/20 0.33
TACR1 P25103 4/20 0.33
TACR2 P21452 3/20 0.33
KCNH2 Q12809 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KRAS P01116 1/20 0.32

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
SCHEMBL4193595 0.86 P2RX7 (0.39) P2RX7EIF4A3TACR3TACR1TACR2
SCHEMBL4171241 0.84 P2RX7 (0.40) P2RX7TACR3TACR1TACR2KCNH2
SCHEMBL3822227 0.83 TACR3 (0.43) P2RX7TACR3TACR1TACR2KCNH2
SCHEMBL3425461 0.83 ALDH1A1 (0.43) P2RX7
SCHEMBL3813676 0.82 EIF4A3 (0.33) P2RX7EIF4A3TACR3TACR1TACR2
SCHEMBL3810964 0.82 TACR3 (0.36) P2RX7TACR3TACR1TACR2KCNH2
SCHEMBL3822498 0.82 TACR3 (0.39) TACR3TACR1TACR2KCNH2CYP1A2
SCHEMBL3815443 0.81 P2RX7 (0.60) P2RX7TACR3KCNH2
SCHEMBL4187598 0.80 P2RX7 (0.34) P2RX7EIF4A3TACR3TACR1TACR2
SCHEMBL3813994 0.79 P2RX7 (0.51) P2RX7TACR3KRAS

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