SCHEMBL7278975

SCHEMBL7278975

CCc1nc(Cl)c(Cl)cc1-c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
AAK1 Q2M2I8 2/20 0.35
GRM2 Q14416 1/20 0.35
RHEB Q15382 1/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN11 Q06124 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL11235206 0.87 PDE3B (0.38) PDE3BPDE3AMAPK1KDM4ERAB9A
SCHEMBL11236919 0.86 GSK3B (0.42) PDE3BPDE3AMAPK1RAB9ANPC1
SCHEMBL11236724 0.84 GSK3B (0.38) PDE3BPDE3AMAPK1KDM4ERAB9A
SCHEMBL11233222 0.83 GSK3B (0.40) PDE3BPDE3AMAPK1RAB9ANPC1
SCHEMBL11245356 0.81 CYP2A6 (0.44) MAPK1HSD17B10GRM2ALDH1A1
SCHEMBL7273135 0.81 MTOR (0.42) AAK1
SCHEMBL11104033 0.80 PDE3B (0.44) PDE3BPDE3AKDM4EHSD17B10RAB9A
SCHEMBL11242084 0.80 PDE3B (0.47) PDE3BPDE3AMAPK1KDM4EHSD17B10
SCHEMBL11236432 0.80 PDE3B (0.51) PDE3BPDE3AMAPK1KDM4EHSD17B10
SCHEMBL11246333 0.78 PDE3B (0.45) PDE3BPDE3ARAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4463008-A 2-Alkoxy-5-(pyridinyl)pyridines and cardiotonic use thereof STERLING DRUG INC. (US) 1984-07-31 US disclosed
EP-0109027-A1 Pyridine derivatives, process for their preparation and composition containing them STERLING DRUG INC. (US) 1984-05-23 EP disclosed
US-4351941-A Pyridinyl-pyridines STERLING DRUG INC. (US) 1982-09-28 US disclosed
US-4331672-A 5-(Pyridinyl)pyridine-2-hydrazines, their preparation and their cardiotonic use STERLING DRUG INC. (US) 1982-05-25 US disclosed