SCHEMBL8482003

SCHEMBL8482003

CN(C)CCn1nc2c3c(c(NC(=O)CN)ccc31)Sc1ccncc1-2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 10/20 0.39
TOP2B Q02880 2/20 0.39
DYRK1A Q13627 1/20 0.36
KDM4C Q9H3R0 2/20 0.34
ATR Q13535 1/20 0.31
EGFR P00533 3/20 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
SCHEMBL8485754 0.93 TOP2A (0.37) TOP2ATOP2BDYRK1AKDM4CATR
SCHEMBL8483090 0.91 TOP2A (0.48) TOP2ATOP2BDYRK1AKDM4CEGFR
SCHEMBL8488681 0.90 DYRK1A (0.36) TOP2ATOP2BDYRK1A
SCHEMBL8486296 0.85 TOP2A (0.43) TOP2ATOP2BDYRK1A
SCHEMBL8484357 0.84 TOP2A (0.46) TOP2ATOP2BDYRK1AEGFR
SCHEMBL8482764 0.83 TOP2A (0.34) TOP2ATOP2B
SCHEMBL8487456 0.82 DYRK1A (0.35) TOP2ATOP2BDYRK1A
SCHEMBL8483006 0.82 TOP2A (0.37) TOP2ATOP2BKDM4C
SCHEMBL8486549 0.81 DYRK1A (0.36) TOP2ATOP2BDYRK1A
SCHEMBL10921806 0.79 TOP2A (0.50) TOP2ATOP2B

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