SCHEMBL7808992

SCHEMBL7808992

NCCNc1ccc2c3c(nn2CCN)-c2ncccc2C(=O)c13

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.47
NSD2 O96028 3/20 0.37
TDP2 O95551 2/20 0.37
PAX8 Q06710 2/20 0.37
ABL1 P00519 1/20 0.37
PLCG1 P19174 1/20 0.37
CES1 P23141 1/20 0.37
RIN1 Q13671 1/20 0.37
GAA P10253 1/20 0.37
S100A4 P26447 3/20 0.35
MAPT P10636 2/20 0.34
ECE1 P42892 1/20 0.34
MUS81 Q96NY9 1/20 0.34
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
BLM P54132 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL7810885 0.92 TOP2A (0.47) TOP2ANSD2TDP2PAX8ABL1
SCHEMBL7809337 0.92 TOP2A (0.49) TOP2ANSD2TDP2PAX8ABL1
SCHEMBL7817109 0.90 TOP2A (0.44) TOP2AS100A4
SCHEMBL7819270 0.90 TOP2A (0.43) TOP2A
SCHEMBL7818954 0.88 TOP2A (0.44) TOP2AMAPTECE1MUS81
SCHEMBL7816428 0.83 TOP2A (0.45) TOP2A
SCHEMBL7810394 0.82 TOP2A (0.45) TOP2A
SCHEMBL7810012 0.82 TOP2A (0.45) TOP2A
SCHEMBL7809341 0.82 TOP2A (0.47) TOP2AMAPTECE1MUS81MEN1
SCHEMBL7820225 0.81 ECE1 (0.49) TOP2AMAPTECE1MUS81MEN1

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
EP-0750619-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA S.p.A. (IT) 1997-01-02 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