SCHEMBL7804602

SCHEMBL7804602

CN(C)CCn1nc2c3c(c(NCCN)ccc31)C(=O)c1ccncc1-2

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.47
MUS81 Q96NY9 1/20 0.47
TOP2A P11388 13/20 0.42
TDP2 O95551 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4C Q9H3R0 1/20 0.33
EHMT2 Q96KQ7 2/20 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
SCHEMBL7804809 0.96 ECE1 (0.47) ECE1MUS81TOP2ATDP2TDP1
SCHEMBL7810464 0.95 TOP2A (0.42) ECE1MUS81TOP2ATDP2TDP1
SCHEMBL7810513 0.93 TOP2A (0.43) ECE1MUS81TOP2ATDP2TDP1
SCHEMBL7810327 0.93 ECE1 (0.43) ECE1MUS81TOP2ATDP2TDP1
SCHEMBL7817250 0.92 TOP2A (0.44) ECE1MUS81TOP2ATDP2TDP1
SCHEMBL7811784 0.91 TOP2A (0.42) ECE1MUS81TOP2ATDP2TDP1
SCHEMBL7810277 0.91 TOP2A (0.42) ECE1MUS81TOP2ATDP2TDP1
SCHEMBL7808820 0.91 TOP2A (0.43) ECE1MUS81TOP2ATDP2TDP1
SCHEMBL7816352 0.91 TOP2A (0.49) ECE1MUS81TOP2ATDP2TDP1
SCHEMBL7814297 0.90 ECE1 (0.49) ECE1MUS81TOP2ATDP1KDM4C

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 9 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
EP-0662076-A1 2-AMINOALKYL-5-AMINOALKYLAMINO SUBSTITUTED ISOQUINOINDAZOLE-6-(2H)-ONES WITH ANTITUMOUR ACTIVITY THE UNIVERSITY OF VERMONT (US) 1995-07-12 EP 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