SCHEMBL15501260

SCHEMBL15501260

Cc1nc(C)nc(Nc2ccc3[nH]c(=O)[nH]c3c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
JAK1 P23458 1/20 0.51
JAK3 P52333 1/20 0.51
MAPT P10636 6/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
TSHR P16473 2/20 0.48
CASP1 P29466 2/20 0.48
POLB P06746 1/20 0.48
HBB P68871 1/20 0.48
DOT1L Q8TEK3 1/20 0.47
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 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
SCHEMBL13818621 0.83 KMT2A (0.50) AURKAAURKBJAK1JAK3MAPT
SCHEMBL21925305 0.81 AURKA (0.48) AURKAAURKBJAK1JAK3MAPT
SCHEMBL23786206 0.81 MAPT (0.48) AURKAAURKBJAK1JAK3MAPT
SCHEMBL23139609 0.81 AURKA (0.46) AURKAAURKBJAK1JAK3MAPT
SCHEMBL21927159 0.80 AURKA (0.47) AURKAAURKBJAK1JAK3MAPT
SCHEMBL1392662 0.77 POLB (0.51) AURKAAURKBJAK1JAK3MAPT
SCHEMBL26418197 0.76 MAPT (0.50) AURKAAURKBJAK1JAK3MAPT
SCHEMBL23377138 0.76 BCL6 (0.44) AURKAAURKBJAK1JAK3MAPT
SCHEMBL23786262 0.76 MAPT (0.46) AURKAAURKBJAK1JAK3MAPT
SCHEMBL23139623 0.76 KDM4E (0.42) AURKAAURKBJAK1JAK3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809723-B2 Active energy ray-curable inkjet ink composition TOYO INK SC HOLDINGS CO., LTD. (JP) 2017-11-07 US disclosed
US-20140069294-A1 ACTIVE ENERGY RAY-CURABLE INKJET INK COMPOSITION TOYO INK CO., LTD. (JP) 2014-03-13 US disclosed