SCHEMBL8487270

SCHEMBL8487270

Nc1ccc2c3c(nn2CCNCCO)-c2ncccc2Sc13

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.41

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
SCHEMBL8485663 0.85 TOP2A (0.46) TOP2A
SCHEMBL10812073 0.85 TOP2A (0.49) TOP2A
SCHEMBL8486344 0.84 TOP2A (0.40) TOP2A
SCHEMBL8483473 0.84 TOP2A (0.42) TOP2A
SCHEMBL8716418 0.83
SCHEMBL8487520 0.83
SCHEMBL8486920 0.80 TOP2A (0.43) TOP2A
SCHEMBL8487998 0.80 TOP2A (0.43) TOP2A
SCHEMBL8483875 0.79 KDM1A (0.34) TOP2A
SCHEMBL8485606 0.77 TOP2A (0.42) 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 3 patents. 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
EP-0837861-A1 NEW PYRIDO-THIOPYRANOINDAZOLES WITH ANTITUMOR ACTIVITY THE UNIVERSITY OF VERMONT (US) 1998-04-29 EP disclosed
WO-1997002267-A1 NEW PYRIDO-THIOPYRANOINDAZOLES WITH ANTITUMOR ACTIVITY UNIVERSITY OF VERMONT (US) 1997-01-23 WO disclosed