SCHEMBL7804428

SCHEMBL7804428

O=C1c2cnccc2-c2nn(CCNCCO)c3ccc(NCCNCCO)c1c23

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.68
TOP2B Q02880 1/20 0.46
BLM P54132 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
TP53 P04637 4/20 0.41
LMNA P02545 4/20 0.41
MEN1 O00255 3/20 0.41
USP2 O75604 3/20 0.41
MAPK1 P28482 3/20 0.41
RECQL P46063 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 2/20 0.41
NSD2 O96028 2/20 0.41
CSNK2A1 P68400 2/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 2/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41

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
SCHEMBL7810474 0.96 TOP2A (0.68) TOP2ATOP2BBLMSMN1; SMN2TP53
SCHEMBL7804826 0.94 TOP2A (0.61) TOP2ATOP2BBLMSMN1; SMN2TP53
SCHEMBL7811993 0.94 TOP2A (0.61) TOP2ATOP2BBLMSMN1; SMN2TP53
SCHEMBL7804753 0.94 TOP2A (0.60) TOP2ATOP2BBLMSMN1; SMN2TP53
SCHEMBL7804730 0.94 TOP2A (0.60) TOP2ATOP2BBLMSMN1; SMN2TP53
SCHEMBL7808487 0.94 TOP2A (0.60) TOP2ATOP2BBLMSMN1; SMN2TP53
SCHEMBL7812051 0.93 TOP2A (0.59) TOP2ATOP2BBLMSMN1; SMN2TP53
SCHEMBL7804654 0.91 TOP2A (0.57) TOP2ATOP2BBLMSMN1; SMN2TP53
SCHEMBL7810397 0.91 TOP2A (0.57) TOP2ATOP2BBLMSMN1; SMN2TP53
SCHEMBL7810460 0.91 TOP2A (0.61) TOP2ATOP2BBLMSMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0662076-B1 2-AMINOALKYL-5-AMINOALKYLAMINO SUBSTITUTED ISOQUINOINDAZOLE-6-(2H)-ONES WITH ANTITUMOUR ACTIVITY UNIV VERMONT (US) 2001-04-11 EP claimed
WO-1995024407-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1995-09-14 WO claimed
EP-0662076-A1 2-AMINOALKYL-5-AMINOALKYLAMINO SUBSTITUTED ISOQUINOINDAZOLE-6-(2H)-ONES WITH ANTITUMOUR ACTIVITY THE UNIVERSITY OF VERMONT (US) 1995-07-12 EP claimed
WO-1994006795-A1 2-AMINOALKYL-5-AMINOALKYLAMINO SUBSTITUTED ISOQUINOINDAZOLE-6-(2H)-ONES WITH ANTITUMOUR ACTIVITY THE UNIVERSITY OF VERMONT (US) 1994-03-31 WO claimed
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
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