SCHEMBL2598858

SCHEMBL2598858

Cn1cc(-c2ccc3ncn(Cc4ccc5ncccc5c4)c3n2)cn1.c1cnc2ccc(Cn3cnc4ccc(-c5cn[nH]c5)nc43)cc2c1.c1cnc2ccc(Cn3cnc4ccc(-c5cnn(CCOC6CCCCO6)c5)nc43)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.59
CYP2C9 P11712 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL1331353 0.92 MET (0.68) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL1331578 0.81 MET (0.70) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL1330784 0.78 MET (0.79) MET
SCHEMBL1329543 0.78 MET (0.78) MET
SCHEMBL2570437 0.77 MET (0.68) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL12122110 0.75 MET (0.66) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL21172008 0.75 MET (0.61) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL1329272 0.74 MET (0.56) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL1330543 0.74 MET (0.56) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL1330120 0.74 MET (0.80) METCYP2C9PDE3BPDE3APDE10A

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-2011145035-A1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES INDIAN INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-11-24 WO claimed