SCHEMBL13616873

SCHEMBL13616873

Nc1ncsc1-c1cc(Cl)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.37
EPHB4 P54760 2/20 0.37
AURKA O14965 1/20 0.36
DPP4 P27487 2/20 0.36
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HTR2B P41595 1/20 0.34
PDE4D Q08499 1/20 0.34
IDO1 P14902 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.33
GRM4 Q14833 1/20 0.33
LRRK2 Q5S007 1/20 0.32
MAP4K4 O95819 1/20 0.32

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
SCHEMBL13616861 0.82 PIM1 (0.40) EPHB4MEN1MAPTKMT2AIDO1
SCHEMBL13616805 0.77 MPL (0.47) DPP4KDM4EALDH1A1MAP4K4
SCHEMBL13398672 0.75 KDM4E (0.50) CYP3A4KDM4EALDH1A1LMNAGRM4
SCHEMBL13617070 0.72 GRM2 (0.37) MEN1KMT2AKDM4E
SCHEMBL13616809 0.71 DHFR (0.47) DPP4MAP4K4
SCHEMBL13616971 0.71 MPL (0.38) CYP3A4KDM4EALDH1A1LMNALRRK2
SCHEMBL13617343 0.70 ALDH1A1 (0.43) DPP4TSHRKDM4EALDH1A1LMNA
SCHEMBL13616949 0.70 MAP4K4 (0.44) EPHB4DPP4CYP3A4LMNAMAP4K4
SCHEMBL13398594 0.68 GABRG2 (0.43) HTTMEN1MAPTKMT2AKDM4E
SCHEMBL1802577 0.68 MPL (0.65) MEN1MAPTKMT2AKDM4EALDH1A1

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
EP-2119716-A1 AZA-BRIDGED-RING COMPOUND Astellas Pharma Inc. (JP) 2009-11-18 EP disclosed