SCHEMBL8327596

SCHEMBL8327596

Clc1[nH]nc2ncncc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.38
DYRK1B Q9Y463 2/20 0.38
NOS1 P29475 1/20 0.36
RPS6KA5 O75582 1/20 0.35
ABL1 P00519 2/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
IGF1R P08069 1/20 0.32
FGFR1 P11362 1/20 0.32
PDGFRA P16234 1/20 0.32
PRKACA P17612 1/20 0.32
FLT1 P17948 1/20 0.32
LTK P29376 1/20 0.32
GRK5 P34947 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
SCHEMBL8319708 0.78 DYRK1B (0.40) DYRK1ADYRK1BRPS6KA5ABL1CHEK1
SCHEMBL23199596 0.75 DYRK1B (0.45) DYRK1ADYRK1BABL1CHEK1AURKA
SCHEMBL15726869 0.75 PIM1 (0.45) DYRK1ADYRK1BABL1CHEK1AURKA
SCHEMBL4779596 0.71 DYRK1A (0.38) DYRK1ADYRK1BCHEK1AURKACSF1R
SCHEMBL20142243 0.71 DYRK1A (0.35) DYRK1ADYRK1B
SCHEMBL1271229 0.68 DYRK1B (0.58) DYRK1ADYRK1BALK
SCHEMBL3433362 0.67 DYRK1A (0.33) DYRK1ADYRK1B
SCHEMBL12014936 0.67 PDE4A (0.40) RPS6KA5MAP4K4
SCHEMBL1128927 0.67 RPS6KA5 (0.38) RPS6KA5CHEK1AURKARETLRRK2
SCHEMBL479502 0.66 CYP2C19 (0.37) DYRK1ADYRK1BCDK9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496617-B1 Adenosine kinase inhibitors METABASIS THERAPEUTICS INC (US) 1999-12-01 EP disclosed
US-5646128-A TREATING INFLAMMATION, SEPSIS, SEPTIC SHOCK, BURNS GENSIA, INC. (US) 1997-07-08 US disclosed
WO-1992012718-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1992-08-06 WO disclosed
EP-0496617-A1 Adenosine kinase inhibitors GENSIA, INC. (US) 1992-07-29 EP disclosed