SCHEMBL8484357

SCHEMBL8484357

CCN(CC)CCn1nc2c3c(c(NC(=O)CN)ccc31)Sc1cnccc1-2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.46
TOP2B Q02880 2/20 0.46
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
POLB P06746 1/20 0.34
DNMT1 P26358 1/20 0.34
HTT P42858 1/20 0.34
RAD52 P43351 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
UHRF1 Q96T88 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DYRK1A Q13627 1/20 0.33
EGFR P00533 1/20 0.30
USP2 O75604 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
SCHEMBL8483090 0.93 TOP2A (0.48) TOP2ATOP2BNPC1MITFPOLB
SCHEMBL8485754 0.91 TOP2A (0.37) TOP2ATOP2BDYRK1AEGFR
SCHEMBL10921806 0.89 TOP2A (0.50) TOP2ATOP2BNPC1MITFPOLB
SCHEMBL8487456 0.88 DYRK1A (0.35) TOP2ATOP2BPOLBDYRK1A
SCHEMBL8486549 0.87 DYRK1A (0.36) TOP2ATOP2BDYRK1A
SCHEMBL8482003 0.84 TOP2A (0.39) TOP2ATOP2BDYRK1AEGFR
SCHEMBL8485863 0.83 TOP2A (0.43) TOP2ATOP2BNPC1MITFPOLB
SCHEMBL8483443 0.83 TOP2A (0.43) TOP2ATOP2BDYRK1A
SCHEMBL8488003 0.82 TOP2A (0.46) TOP2ATOP2BNPC1MITFPOLB
SCHEMBL8488681 0.81 DYRK1A (0.36) TOP2ATOP2BPOLBDYRK1A

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