SCHEMBL13493580

SCHEMBL13493580

Cc1ccc2oc(-c3c(Cl)nc(N)nc3N[C@@H]3C[C@H](CO)C[C@H]3C)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 6/20 0.38
▸ PLAU P00749 1/20 0.33
▸ TAS1R3 Q7RTX0 3/20 0.32
▸ TAS1R1 Q7RTX1 3/20 0.32
▸ MAOB P27338 3/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.30
▸ RIPK2 O43353 1/20 0.30
▸ PIKFYVE Q9Y2I7 1/20 0.30
▸ TRPM8 Q7Z2W7 1/20 0.30
▸ F12 P00748 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
SCHEMBL12058479 0.90 IRAK4 (0.39) IRAK4PLAUMAOBCHRM2CHRM4
SCHEMBL13493506 0.87 IRAK4 (0.35) IRAK4
SCHEMBL12058262 0.87 IRAK4 (0.35) IRAK4
SCHEMBL13493672 0.86 IRAK4 (0.37) IRAK4
SCHEMBL13493495 0.84 IRAK4 (0.35) IRAK4
SCHEMBL12036736 0.84 IRAK4 (0.56) IRAK4
SCHEMBL13493437 0.83 IRAK4 (0.35) IRAK4
SCHEMBL12058362 0.82 IRAK4 (0.41) IRAK4
SCHEMBL13493429 0.80 IRAK4 (0.35) IRAK4
SCHEMBL13493443 0.79 IRAK4 (0.35) IRAK4

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-2010022121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-02-25 — — WO disclosed
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