SCHEMBL8486296

SCHEMBL8486296

NCC(=O)Nc1ccc2c3c(nn2CCNCCO)-c2cnccc2Sc13

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.43
DYRK1A Q13627 1/20 0.34
TOP2B Q02880 2/20 0.32

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
SCHEMBL8483443 0.93 TOP2A (0.43) TOP2ADYRK1ATOP2B
SCHEMBL8488681 0.89 DYRK1A (0.36) TOP2ADYRK1ATOP2B
SCHEMBL8482003 0.85 TOP2A (0.39) TOP2ADYRK1ATOP2B
SCHEMBL8487998 0.84 TOP2A (0.43) TOP2ATOP2B
SCHEMBL8485927 0.83 TOP2A (0.47) TOP2A
SCHEMBL8483090 0.83 TOP2A (0.48) TOP2ADYRK1ATOP2B
SCHEMBL8483473 0.83 TOP2A (0.42) TOP2A
SCHEMBL8486549 0.82 DYRK1A (0.36) TOP2ADYRK1ATOP2B
SCHEMBL8487456 0.82 DYRK1A (0.35) TOP2ADYRK1ATOP2B
SCHEMBL8485627 0.79 TOP2A (0.41) 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