SCHEMBL4171241

SCHEMBL4171241

CC1c2nnc(-c3ccncc3)n2CCN1C(=O)c1cc2ccc(Br)cn2n1.CC1c2nnc(-c3ccncc3)n2CCN1C(=O)c1cc2ccc(Cl)cn2n1.O=C(c1cc2ccc(Br)cn2n1)N1CCn2c(nnc2-c2ccncc2)C1.O=C(c1cc2ccc(Cl)cn2n1)N1CCn2c(nnc2-c2ccncc2)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.40
TACR3 P29371 12/20 0.39
TACR1 P25103 5/20 0.39
TACR2 P21452 5/20 0.39
KCNH2 Q12809 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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 0.88 TACR3 (0.48) P2RX7TACR3TACR1TACR2KCNH2
SCHEMBL3810556 0.88 TACR3 (0.43) P2RX7TACR3TACR1TACR2KCNH2
SCHEMBL3819285 0.86 P2RX7 (0.46) P2RX7TACR3
SCHEMBL3812459 0.86 P2RX7 (0.51) P2RX7TACR3
SCHEMBL4182389 0.84 P2RX7 (0.41) P2RX7TACR3TACR1TACR2KCNH2
SCHEMBL4187598 0.83 P2RX7 (0.34) P2RX7TACR3TACR1TACR2KCNH2
SCHEMBL4191663 0.83 P2RX7 (0.41) P2RX7TACR3
SCHEMBL4193595 0.82 P2RX7 (0.39) P2RX7TACR3TACR1TACR2KCNH2
SCHEMBL3813684 0.81 TACR3 (0.46) P2RX7TACR3TACR1TACR2KCNH2
SCHEMBL3815823 0.81 TACR3 (0.42) TACR3TACR1TACR2KCNH2CYP1A2

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