SCHEMBL7818082

SCHEMBL7818082

CN(C)CCCn1nc2c3c(c(NCCN(C)C)ccc31)C(=O)c1ccncc1-2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.42
TDP2 O95551 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ECE1 P42892 1/20 0.38
MUS81 Q96NY9 1/20 0.38
PRKCG P05129 1/20 0.37
PRKCB P05771 1/20 0.37
PRKCA P17252 1/20 0.37
GSK3B P49841 1/20 0.37
PRKCZ Q05513 1/20 0.37
PRKCD Q05655 1/20 0.37
KCNH2 Q12809 1/20 0.37
EHMT2 Q96KQ7 5/20 0.36
MALT1 Q9UDY8 1/20 0.36
KDM4C Q9H3R0 2/20 0.36
NQO1 P15559 1/20 0.36

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
SCHEMBL7810513 0.94 TOP2A (0.43) TOP2ATDP2TDP1ECE1MUS81
SCHEMBL7810277 0.94 TOP2A (0.42) TOP2ATDP2TDP1ECE1MUS81
SCHEMBL7817250 0.93 TOP2A (0.44) TOP2ATDP2TDP1ECE1MUS81
SCHEMBL7810327 0.92 ECE1 (0.43) TOP2ATDP2TDP1ECE1MUS81
SCHEMBL7818986 0.92 TOP2A (0.47) TOP2AECE1MUS81EHMT2MALT1
SCHEMBL7804758 0.90 TOP2A (0.43) TOP2ATDP2TDP1ECE1MUS81
SCHEMBL7805085 0.89 ECE1 (0.40) TOP2ATDP2TDP1ECE1MUS81
Topixantrone SCHEMBL29371930 0.88 TOP2A (0.57) TOP2ATDP1ECE1MUS81KCNH2
Topixantrone SCHEMBL1344518 0.88 TOP2A (0.57) TOP2ATDP1ECE1MUS81KCNH2
SCHEMBL7810464 0.88 TOP2A (0.42) TOP2ATDP2TDP1ECE1MUS81

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 7 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
EP-0750619-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA S.p.A. (IT) 1997-01-02 EP disclosed
WO-1995024407-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1995-09-14 WO disclosed