SCHEMBL28019369

SCHEMBL28019369

c1cncc(-c2cccc3n[nH]cc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.46
GSK3B P49841 2/20 0.46
LRRK2 Q5S007 2/20 0.46
ALK Q9UM73 2/20 0.46
PIM1 P11309 2/20 0.46
CHEK1 O14757 1/20 0.46
AURKA O14965 1/20 0.46
DAPK3 O43293 1/20 0.46
JAK2 O60674 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
IGF1R P08069 1/20 0.46
MET P08581 1/20 0.46
PDGFRB P09619 1/20 0.46

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
SCHEMBL26259989 0.78 CYP2A6 (0.64) DYRK1AGSK3BLRRK2NUDT1CYP11B1
SCHEMBL21160911 0.75 CYP11B1 (0.51) FYNACVR1NUDT1CYP11B1CYP11B2
SCHEMBL1924022 0.73 CYP2A6 (0.50) DYRK1AGSK3BAURKAAURKBNUDT1
SCHEMBL12339131 0.73 CYP2A6 (0.54) DYRK1ADYRK1BNUDT1CYP11B1CYP11B2
SCHEMBL13727366 0.72 CYP11B1 (0.58) LRRK2LCKCLK4CYP11B1CYP11B2
SCHEMBL28139442 0.72 CYP2A6 (0.48) DYRK1AGSK3BCLK4NUDT1CYP11B1
SCHEMBL4789914 0.71 CYP2A6 (0.48) DYRK1AGSK3BNUDT1CYP11B1CYP3A4
SCHEMBL13727852 0.71 CYP11B1 (0.57) LRRK2LCKCLK4CYP11B1CYP11B2
SCHEMBL13907276 0.70 CYP11B1 (0.66) DYRK1AGSK3BLRRK2NUDT1CYP11B1
SCHEMBL10296012 0.70 CYP11B1 (0.66) LRRK2NUDT1CYP11B1CYP11B2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 CN claimed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN claimed
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 CN disclosed
CN-106536507-A 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use 里格尔药品股份有限公司 2017-03-22 CN disclosed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN disclosed