SCHEMBL439003

SCHEMBL439003

Nc1c(Br)cnc2c(F)ccc(F)c12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.34
EPHB4 P54760 1/20 0.34
BTK Q06187 1/20 0.32
MAP4K4 O95819 1/20 0.31
MINK1 Q8N4C8 1/20 0.31
TNIK Q9UKE5 1/20 0.31
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
SCHEMBL439646 0.77 HAVCR2 (0.32) TET2EPHB4BTKDYRK1A
SCHEMBL435823 0.74 PARP1 (0.41) TET2
SCHEMBL437507 0.74 MAP4K4 (0.35) TET2EPHB4MAP4K4MINK1TNIK
SCHEMBL436994 0.72 HAVCR2 (0.48) BTK
SCHEMBL28902617 0.71 BTK (0.51) BTKMAP4K4DYRK1A
SCHEMBL439672 0.69 DYRK1A (0.35) EPHB4MAP4K4DYRK1A
SCHEMBL436403 0.69 POLB (0.38) DYRK1A
SCHEMBL439299 0.67 BCHE (0.34) EPHB4
SCHEMBL439456 0.67 CDK8 (0.33) TET2MAP4K4MINK1TNIKDYRK1A
SCHEMBL10008366 0.65 NR4A2 (0.37)

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