SCHEMBL2003357

SCHEMBL2003357

N=C(N)Nc1cccc(NC(=N)Nc2cccc(NC(=N)N)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
GPR35 Q9HC97 1/20 0.42
CYP1A2 P05177 1/20 0.41
DDX3X O00571 2/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
MEN1 O00255 1/20 0.36
TOP1 P11387 1/20 0.36
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36

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
SCHEMBL20714982 0.83 CYP1A2 (0.43) KMT2AGPR35CYP1A2DDX3XKCNK3
SCHEMBL1593329 0.81 KMT2A (0.66) KMT2ACYP1A2ALDH1A1MEN1GRIN2D
SCHEMBL17560500 0.81 DDX3X (0.62) KMT2ADDX3XALDH1A1MEN1
SCHEMBL21937248 0.80 IDO1 (0.44) KMT2AGPR35CYP1A2DDX3XKCNK3
SCHEMBL10671451 0.79 PRSS1 (0.52) KMT2AMEN1
SCHEMBL1740852 0.79 CYP1A2 (0.67) KMT2ACYP1A2KCNK3KCNK9ALDH1A1
Hydrochloric Acid SCHEMBL1591965 0.79 KMT2A (0.63) KMT2ACYP1A2ALDH1A1MEN1GRIN2D
SCHEMBL11878139 0.79 IDO1 (0.58) KMT2AALDH1A1MEN1
SCHEMBL1184711 0.79 SIGMAR1 (0.57) KMT2ACYP1A2DDX3XHTR3EHTR3B
SCHEMBL3443268 0.79 IDO1 (0.58) KMT2AALDH1A1MEN1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960459-B2 Curable composition KANEKA CORPORATION (JP) 2011-06-14 US disclosed
US-20090186993-A1 CURABLE COMPOSITION KANEKA CORPORATION (JP) 2009-07-23 US disclosed
EP-1990371-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2008-11-12 EP disclosed