SCHEMBL7809337

SCHEMBL7809337

NCCNc1ccc2c3c(nn2CCN)-c2cccnc2C(=O)c13

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 8/20 0.49
S100A4 P26447 2/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
THRB P10828 2/20 0.34
BLM P54132 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ECE1 P42892 1/20 0.32
MUS81 Q96NY9 1/20 0.32
TDP2 O95551 2/20 0.32
NSD2 O96028 2/20 0.32
PAX8 Q06710 2/20 0.32
TGM2 P21980 1/20 0.32
PADI1 Q9ULC6 1/20 0.32
PADI3 Q9ULW8 1/20 0.32
PADI4 Q9UM07 1/20 0.32
PADI2 Q9Y2J8 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 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) TOP2AS100A4MAPTMEN1THRB
SCHEMBL7810394 0.90 TOP2A (0.45) TOP2A
SCHEMBL7810012 0.90 TOP2A (0.45) TOP2A
SCHEMBL7818954 0.88 TOP2A (0.44) TOP2AMAPTECE1MUS81
SCHEMBL7810885 0.84 TOP2A (0.47) TOP2AS100A4MAPTMEN1THRB
SCHEMBL7808475 0.83 TOP2A (0.47) TOP2A
SCHEMBL7817109 0.82 TOP2A (0.44) TOP2AS100A4
SCHEMBL7819270 0.82 TOP2A (0.43) TOP2A
SCHEMBL7809341 0.82 TOP2A (0.47) TOP2AMAPTMEN1THRBBLM
SCHEMBL7814297 0.81 ECE1 (0.49) TOP2AMAPTMEN1THRBBLM

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