SCHEMBL2462976

SCHEMBL2462976

O=c1c(CCc2cccc(Cl)c2)c(C2=CC=C2)[nH]c2ncnn12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.40
ENPP1 P22413 1/20 0.37
PDE1B Q01064 6/20 0.37
DHODH Q02127 1/20 0.35
CCR2 P41597 2/20 0.35
GPR84 Q9NQS5 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2460223 0.92 ENPP1 (0.43) DAOENPP1PDE1BCCR2
SCHEMBL2464959 0.79 ENPP1 (0.31) ENPP1
SCHEMBL2459450 0.79 ENPP1 (0.47) DAOENPP1PDE1BCCR2
SCHEMBL2457421 0.79 ALKBH3 (0.36) DAOPDE1BCCR2TDP1
SCHEMBL2455163 0.79 ENPP1 (0.43) DAOENPP1CCR2
SCHEMBL2460016 0.79 CCR2 (0.36) ENPP1CCR2TDP1
SCHEMBL2454685 0.78 DAO (0.36) DAOENPP1PDE1B
SCHEMBL2462973 0.78 CCR2 (0.39) DAOPDE1BCCR2
SCHEMBL2462277 0.77 ENPP1 (0.31) ENPP1
SCHEMBL2455657 0.77 ENPP1 (0.50) DAOENPP1PDE1BCCR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011114148-A1 4H- [1, 2, 4] TRIAZOLO [5, 1 -B] PYRIMIDIN-7 -ONE DERIVATIVES AS CCR2B RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2011-09-22 WO claimed
WO-2011114148-A1 4H- [1, 2, 4] TRIAZOLO [5, 1 -B] PYRIMIDIN-7 -ONE DERIVATIVES AS CCR2B RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2011-09-22 WO disclosed