SCHEMBL442157

SCHEMBL442157

Nc1c(Cl)cnc2c(F)c(F)ccc12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.36
DYRK1A Q13627 1/20 0.32
GRM1 Q13255 1/20 0.31
TDO2 P48775 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL437507 0.79 MAP4K4 (0.35) ALOX5APFEN1
SCHEMBL441422 0.79 HAVCR2 (0.46) HAVCR2
SCHEMBL438820 0.76 HAVCR2 (0.39) HAVCR2DYRK1A
SCHEMBL439646 0.74 HAVCR2 (0.32) HAVCR2DYRK1A
SCHEMBL436943 0.73 HAVCR2 (0.56) HAVCR2ALOX5APFEN1
SCHEMBL436942 0.73 HAVCR2 (0.41) HAVCR2DYRK1A
SCHEMBL441707 0.72 HAVCR2 (0.63) HAVCR2DYRK1A
SCHEMBL440416 0.71 CDK8 (0.33) HAVCR2ALOX5APFEN1
SCHEMBL437847 0.71 CCR1 (0.42) HAVCR2DYRK1A
SCHEMBL441974 0.69 HAVCR2 (0.38) HAVCR2DYRK1A

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