SCHEMBL4193595

SCHEMBL4193595

CC1c2nnc(Br)n2CCN1C(=O)c1cc2ccc(Cl)cn2n1.CCOC(=O)c1nnc2n1CCN(C(=O)c1cc3ccc(Br)cn3n1)C2.O=C(c1cc2ccc(Cl)cn2n1)N1CCn2c(Br)nnc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.39
DPP4 P27487 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.35
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
TACR3 P29371 5/20 0.32
TACR1 P25103 3/20 0.32
TACR2 P21452 2/20 0.32
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
ESR1 P03372 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR2 Q92731 1/20 0.31
LTA4H P09960 1/20 0.31
EIF4A3 P38919 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
SCHEMBL3428330 0.86 ESR2 (0.44) P2RX7ESR1KMT2AESR2
SCHEMBL4182389 0.86 P2RX7 (0.41) P2RX7TACR3TACR1TACR2KCNH2
SCHEMBL3816917 0.84 TACR3 (0.41) TACR3TACR1TACR2KCNH2CYP1A2
SCHEMBL3819604 0.84 TACR3 (0.36) TACR3TACR1TACR2KCNH2ESR1
SCHEMBL3820997 0.84 DPP4 (0.47) P2RX7DPP4DPP8DPP9PARP1
SCHEMBL3819398 0.84 DPP4 (0.45) P2RX7DPP4DPP8DPP9PARP1
SCHEMBL4171241 0.82 P2RX7 (0.40) P2RX7TACR3TACR1TACR2KCNH2
SCHEMBL3822227 0.81 TACR3 (0.43) P2RX7TACR3TACR1TACR2KCNH2
SCHEMBL3822498 0.79 TACR3 (0.39) TACR3TACR1TACR2KCNH2CYP1A2
SCHEMBL4187598 0.78 P2RX7 (0.34) P2RX7TACR3TACR1TACR2KCNH2

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