SCHEMBL8488337

SCHEMBL8488337

NCCn1nc2c3c(c(N)ccc31)Sc1cnccc1-2

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.30
TOP2B Q02880 1/20 0.30

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
SCHEMBL8483491 0.90 TOP2A (0.32) TOP2ATOP2B
SCHEMBL8485118 0.86 CYP2D6 (0.36) TOP2ATOP2B
SCHEMBL8488090 0.86 TOP2A (0.32) TOP2ATOP2B
SCHEMBL8488003 0.84 TOP2A (0.46) TOP2ATOP2B
SCHEMBL10923929 0.84 NPY5R (0.35) TOP2ATOP2B
SCHEMBL8489718 0.83 NQO1 (0.35)
SCHEMBL8486920 0.83 TOP2A (0.43) TOP2ATOP2B
SCHEMBL8716395 0.81 TOP2A (0.35) TOP2A
SCHEMBL8487456 0.81 DYRK1A (0.35) TOP2ATOP2B
SCHEMBL8486027 0.77 TOP2A (0.32) TOP2A

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
US-5935969-A Pyrido-thiopyrandoinazoles with antitumor activity UNIVERSITY OF VERMONT (US) 1999-08-10 US disclosed