SCHEMBL439646

SCHEMBL439646

Nc1c(Cl)cnc2c(F)ccc(F)c12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.32
BTK Q06187 1/20 0.32
EPHB4 P54760 2/20 0.31
TET2 Q6N021 1/20 0.31
MAPK1 P28482 1/20 0.30
DYRK1A Q13627 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
SCHEMBL442157 0.74 HAVCR2 (0.36) HAVCR2DYRK1A
SCHEMBL441422 0.74 HAVCR2 (0.46) HAVCR2
SCHEMBL437555 0.74 HAVCR2 (0.38) HAVCR2DYRK1A
SCHEMBL436994 0.72 HAVCR2 (0.48) HAVCR2BTK
SCHEMBL19989867 0.69 HCRTR1 (0.36) EPHB4
SCHEMBL436692 0.69 POLB (0.38) HAVCR2MAPK1DYRK1A
SCHEMBL437482 0.68 CYP3A4 (0.35) HAVCR2
SCHEMBL440416 0.67 CDK8 (0.33) HAVCR2
SCHEMBL437520 0.67 AAK1 (0.34)
SCHEMBL3209981 0.65 ALDH1A1 (0.38) MAPK1DYRK1A

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