SCHEMBL7817561

SCHEMBL7817561

CNCCn1nc2c3c(c(Cl)ccc31)C(=O)c1cnccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 13/20 0.41
MAPT P10636 4/20 0.38
BLM P54132 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
TP53 P04637 3/20 0.38
CYP3A4 P08684 3/20 0.38
CASP1 P29466 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CDC25B P30305 1/20 0.35
CASP7 P55210 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ECE1 P42892 1/20 0.31
MUS81 Q96NY9 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7804837 0.87 TOP2A (0.50) TOP2AMAPTBLMSMN1; SMN2TP53
SCHEMBL8847912 0.86 TOP2A (0.46) TOP2AMAPTBLMSMN1; SMN2TP53
SCHEMBL8848089 0.86 TOP2A (0.46) TOP2AMAPTBLMSMN1; SMN2TP53
SCHEMBL7804806 0.85 TOP2A (0.48) TOP2AMAPTBLMSMN1; SMN2TP53
SCHEMBL7804662 0.85 TOP2A (0.48) TOP2AMAPTBLMSMN1; SMN2TP53
SCHEMBL8847987 0.84 TOP2A (0.45) TOP2ACDC25B
SCHEMBL7814010 0.83 TOP2A (0.45) TOP2ASMN1; SMN2CDC25BNPC1HTT
SCHEMBL7812061 0.83 TOP2A (0.45) TOP2A
SCHEMBL7812073 0.83 TOP2A (0.41) TOP2ACYP3A4
SCHEMBL7817765 0.83 ECE1 (0.48) TOP2AMAPTBLMSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0750619-B1 HETERO-ANNULATED INDAZOLES NOVUSPHARMA SPA (IT) 2001-05-30 EP disclosed
EP-0662076-B1 2-AMINOALKYL-5-AMINOALKYLAMINO SUBSTITUTED ISOQUINOINDAZOLE-6-(2H)-ONES WITH ANTITUMOUR ACTIVITY UNIV VERMONT (US) 2001-04-11 EP disclosed
US-5604246-A HAVING POTENCY AGAINST MULTIDRUG RESISTANT TUMORS BOEHRINGER MANNHEIM ITALIA SPA (IT) 1997-02-18 US disclosed
US-5596097-A ANTITUMOR AGENTS THE UNIVERSITY OF VERMONT (US) 1997-01-21 US disclosed
EP-0750619-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA S.p.A. (IT) 1997-01-02 EP disclosed
US-5519029-A ANTITUMOR AGENTS BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1996-05-21 US disclosed
WO-1995024407-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1995-09-14 WO disclosed
WO-1994006795-A1 2-AMINOALKYL-5-AMINOALKYLAMINO SUBSTITUTED ISOQUINOINDAZOLE-6-(2H)-ONES WITH ANTITUMOUR ACTIVITY THE UNIVERSITY OF VERMONT (US) 1994-03-31 WO disclosed