SCHEMBL8486876

SCHEMBL8486876

NCCn1nc2c3c(c(NC(=O)CN)ccc31)Sc1ncccc1-2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
MAPT P10636 5/20 0.36
POLB P06746 2/20 0.35
LMNA P02545 3/20 0.33
TOP2A P11388 1/20 0.33
HDAC1 Q13547 1/20 0.33
RXFP1 Q9HBX9 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 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
SCHEMBL8483307 0.91 THRB (0.37) THRBMAPTPOLBLMNATOP2A
SCHEMBL8485927 0.89 TOP2A (0.47) THRBMAPTPOLBLMNATOP2A
SCHEMBL8486910 0.86 HDAC1 (0.32) LMNAHDAC1RXFP1
SCHEMBL8487456 0.82 DYRK1A (0.35) POLBTOP2A
SCHEMBL8488681 0.82 DYRK1A (0.36) POLBTOP2A
SCHEMBL8486027 0.81 TOP2A (0.32) TOP2A
SCHEMBL8488277 0.77 TOP2A (0.31) MAPTTOP2A
SCHEMBL8485791 0.77 NQO1 (0.36) MAPTPOLBLMNATOP2AMEN1
SCHEMBL8482764 0.77 TOP2A (0.34) TOP2A
SCHEMBL8483473 0.76 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 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