SCHEMBL2456947

SCHEMBL2456947

O=c1c(Cc2ccc(F)c(F)c2)c(C2=CC=C2)[nH]c2ncnn12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
POLB P06746 1/20 0.31
PDE1B Q01064 1/20 0.31
ENPP1 P22413 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL2454685 0.91 DAO (0.36) DAOLMNAPKMKDM5AKDM5B
SCHEMBL2454918 0.91 PDE1B (0.34) LMNAPKMKDM5AKDM5BPOLB
SCHEMBL2455233 0.89 DAO (0.38) DAOLMNAPKM
SCHEMBL2457055 0.89 AR (0.35) LMNAPKM
SCHEMBL2455163 0.87 ENPP1 (0.43) DAOLMNAPKMPOLBENPP1
SCHEMBL2460223 0.85 ENPP1 (0.43) DAOPDE1BENPP1
SCHEMBL2457421 0.85 ALKBH3 (0.36) DAOKDM5AKDM5BPOLBPDE1B
SCHEMBL2460016 0.83 CCR2 (0.36) POLBENPP1MEN1MAPTKMT2A
SCHEMBL2456758 0.82 KDM4A (0.38) KDM5AKDM5B
SCHEMBL2464959 0.81 ENPP1 (0.31) ENPP1

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