SCHEMBL441707

SCHEMBL441707

Nc1c(Cl)cnc2c(Cl)cccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.63
NR4A2 P43354 3/20 0.56
ACHE P22303 2/20 0.47
DYRK1A Q13627 2/20 0.44
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
ABL1 P00519 1/20 0.44
CSF1R P07333 1/20 0.44
RET P07949 1/20 0.44
IGF1R P08069 1/20 0.44
MET P08581 1/20 0.44
PDGFRB P09619 1/20 0.44
PARP1 P09874 1/20 0.44
PIM1 P11309 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44

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
SCHEMBL442075 0.83 HAVCR2 (0.46) HAVCR2NR4A2ACHEPARP1CYP1A2
SCHEMBL441422 0.83 HAVCR2 (0.46) HAVCR2NR4A2ACHEJAK2PARP1
SCHEMBL437767 0.83 HAVCR2 (0.46) HAVCR2NR4A2ACHECYP1A2CYP2A6
SCHEMBL441951 0.83 HAVCR2 (0.58) HAVCR2NR4A2ACHEDYRK1AAURKA
SCHEMBL436008 0.79 HTR1A (0.44) HAVCR2KDM4EALDH1A1
SCHEMBL440440 0.79 HAVCR2 (0.47) HAVCR2NR4A2ACHEPARP1GABRA1
SCHEMBL437574 0.79 PARP1 (0.45) HAVCR2NR4A2DYRK1APRKD3MAP4K4
SCHEMBL436716 0.78 HAVCR2 (1.00) HAVCR2NR4A2ACHEDYRK1AAURKA
SCHEMBL8488405 0.78 MEN1 (0.63) HAVCR2CYP1A2LMNAPDE10AKDM4E
SCHEMBL438820 0.76 HAVCR2 (0.39) HAVCR2NR4A2ACHEDYRK1ALMNA

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed