SCHEMBL437507

SCHEMBL437507

Nc1c(Br)cnc2c(F)c(F)ccc12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
TNIK Q9UKE5 1/20 0.35
TET2 Q6N021 1/20 0.33
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
EPHB4 P54760 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
SCHEMBL435823 0.79 PARP1 (0.41) TET2ALOX5APFEN1
SCHEMBL442157 0.79 HAVCR2 (0.36) ALOX5APFEN1
SCHEMBL439003 0.74 TET2 (0.34) MAP4K4MINK1TNIKTET2EPHB4
SCHEMBL436943 0.73 HAVCR2 (0.56) MAP4K4ALOX5APFEN1
SCHEMBL439739 0.73 CCR1 (0.39) MAP4K4MINK1TNIK
SCHEMBL18281191 0.72 MEN1 (0.38) MAP4K4MINK1TNIK
SCHEMBL442133 0.72 BACE1 (0.41)
SCHEMBL437599 0.71 CCR1 (0.42)
SCHEMBL439423 0.71 HAVCR2 (0.36)
SCHEMBL439456 0.71 CDK8 (0.33) MAP4K4MINK1TNIKTET2ALOX5AP

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