SCHEMBL7744349

SCHEMBL7744349

[c]1ncc2sc3cccnc3c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.41
CLK1 P49759 1/20 0.41
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
TP53 P04637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MMP2 P08253 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MMP8 P22894 1/20 0.32
CCR1 P32246 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
HTT P42858 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
SCHEMBL10054253 0.79 LIMK1 (0.57) LIMK1CLK1LMNAKDM4EGMNN
SCHEMBL3965351 0.77 CLK1 (0.42) LIMK1CLK1LMNAKDM4EHSP90AA1
SCHEMBL154291 0.75 GPR3 (0.52) LIMK1KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL22483140 0.73 LIMK1 (0.53) LIMK1CLK1LMNAKDM4EGMNN
SCHEMBL16390728 0.68 LIMK1 (0.44) LIMK1CLK1LMNAKDM4EGMNN
SCHEMBL16406208 0.68 LIMK1 (0.44) LIMK1CLK1LMNAKDM4EGMNN
SCHEMBL26423615 0.68 ALDH1A1 (0.42) LIMK1CLK1LMNAKDM4EGMNN
SCHEMBL24623724 0.67 LIMK1 (0.46) LIMK1CLK1LMNAKDM4EGMNN
SCHEMBL17051494 0.66 LIMK1 (0.49) LIMK1CLK1LMNAKDM4EGMNN
SCHEMBL149872 0.66 GPR3 (0.54) LIMK1CLK1LMNAKDM4EGMNN

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-1067123-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-01-10 EP disclosed