SCHEMBL8719830

SCHEMBL8719830

CN(C)CCNc1ccc2c3c(nn2CCNCCO)-c2cccnc2Sc13

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.49
KAT2B Q92831 1/20 0.33
DYRK3 O43781 1/20 0.32
RPS6KB1 P23443 1/20 0.32
EPHA2 P29317 1/20 0.32
FLT4 P35916 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CYP2C19 P33261 1/20 0.31
SLC40A1 Q9NP59 1/20 0.30
TOP2B Q02880 2/20 0.30
FGFR1 P11362 2/20 0.30
KDR P35968 2/20 0.30
NQO2 P16083 2/20 0.30
PDGFRA P16234 1/20 0.30
NQO1 P15559 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
SCHEMBL8721611 0.93 TOP2A (0.49) TOP2ADYRK3RPS6KB1EPHA2FLT4
SCHEMBL8719777 0.90 TOP2A (0.52) TOP2ADYRK3RPS6KB1EPHA2FLT4
SCHEMBL8716808 0.84 TOP2A (0.42) TOP2ATOP2BNQO2PDGFRA
SCHEMBL8485663 0.82 TOP2A (0.46) TOP2A
SCHEMBL8721606 0.82 TOP2A (0.35) TOP2ATOP2B
SCHEMBL8485927 0.81 TOP2A (0.47) TOP2A
SCHEMBL8716881 0.81 TOP2A (0.40) TOP2A
SCHEMBL10811401 0.79 TOP2A (0.50) TOP2AKAT2BDYRK3RPS6KB1EPHA2
SCHEMBL10809616 0.78 TOP2A (0.61) TOP2ADYRK3RPS6KB1EPHA2FLT4
SCHEMBL10807061 0.77 TOP2A (0.66) TOP2ATOP2BNQO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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