SCHEMBL2454918

SCHEMBL2454918

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 2/20 0.34
EGLN2 Q96KS0 1/20 0.33
PDE2A O00408 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
POLB P06746 1/20 0.30
TLR7 Q9NYK1 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 0.92 DAO (0.36) PDE1BPDE2AMEN1HPGDKMT2A
SCHEMBL2456947 0.91 DAO (0.33) PDE1BMEN1KMT2ALMNAPKM
SCHEMBL2457421 0.91 ALKBH3 (0.36) PDE1BMEN1HPGDKMT2AKDM5A
SCHEMBL2456758 0.87 KDM4A (0.38) PDE2AKDM5AKDM5B
SCHEMBL2455233 0.86 DAO (0.38) LMNAPKM
SCHEMBL2460223 0.84 ENPP1 (0.43) PDE1B
SCHEMBL2455163 0.84 ENPP1 (0.43) EGLN2HPGDLMNAPKMPOLB
SCHEMBL2457055 0.84 AR (0.35) PDE2ALMNAPKM
SCHEMBL2464959 0.80 ENPP1 (0.31)
SCHEMBL2460016 0.80 CCR2 (0.36) PDE2AMEN1HPGDKMT2APOLB

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