SCHEMBL7810885

SCHEMBL7810885

CNCCNc1ccc2c3c(nn2CCN)-c2ncccc2C(=O)c13

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 8/20 0.47
TDP2 O95551 2/20 0.34
NSD2 O96028 2/20 0.34
PAX8 Q06710 2/20 0.34
ABL1 P00519 1/20 0.34
PLCG1 P19174 1/20 0.34
CES1 P23141 1/20 0.34
RIN1 Q13671 1/20 0.34
GAA P10253 1/20 0.34
S100A4 P26447 2/20 0.33
TERT O14746 2/20 0.33
TDP1 Q9NUW8 2/20 0.32
TOP2B Q02880 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
APP P05067 1/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 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
SCHEMBL7808992 0.92 TOP2A (0.47) TOP2ATDP2NSD2PAX8ABL1
SCHEMBL7816899 0.89 TOP2A (0.43) TOP2A
SCHEMBL7819270 0.89 TOP2A (0.43) TOP2AIDO1TDO2
SCHEMBL7817109 0.85 TOP2A (0.44) TOP2AS100A4IDO1TDO2
SCHEMBL7809337 0.84 TOP2A (0.49) TOP2ATDP2NSD2PAX8ABL1
SCHEMBL7804859 0.83 TOP2A (0.44) TOP2ATERTTDP1MEN1USP2
SCHEMBL7816428 0.82 TOP2A (0.45) TOP2AIDO1TDO2
SCHEMBL7810012 0.81 TOP2A (0.45) TOP2AIDO1TDO2
SCHEMBL7818954 0.80 TOP2A (0.44) TOP2AMAPT
SCHEMBL10801112 0.79 TOP2A (0.53) TOP2ANSD2PAX8TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0750619-B1 HETERO-ANNULATED INDAZOLES NOVUSPHARMA SPA (IT) 2001-05-30 EP claimed
WO-1995024407-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1995-09-14 WO claimed
EP-0750619-B1 HETERO-ANNULATED INDAZOLES NOVUSPHARMA SPA (IT) 2001-05-30 EP disclosed
US-5596097-A ANTITUMOR AGENTS THE UNIVERSITY OF VERMONT (US) 1997-01-21 US disclosed
WO-1995024407-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1995-09-14 WO disclosed