SCHEMBL7816205

SCHEMBL7816205

CN(C)CCNc1ccc2c3c(nn2CCN(C)C)-c2cnncc2C(=O)c13

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 14/20 0.45
EHMT2 Q96KQ7 4/20 0.37
KAT2B Q92831 1/20 0.35
MALT1 Q9UDY8 1/20 0.34

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
SCHEMBL7810135 0.93 TOP2A (0.43) TOP2AEHMT2KAT2B
SCHEMBL7809049 0.90 EHMT2 (0.39) TOP2AEHMT2KAT2BMALT1
SCHEMBL7804758 0.89 TOP2A (0.43) TOP2AEHMT2
SCHEMBL7810513 0.89 TOP2A (0.43) TOP2AEHMT2MALT1
SCHEMBL7817250 0.83 TOP2A (0.44) TOP2A
SCHEMBL7809103 0.83 TOP2A (0.46) TOP2AEHMT2
SCHEMBL7818082 0.83 TOP2A (0.42) TOP2AEHMT2MALT1
SCHEMBL8795843 0.83 TOP2A (0.52) TOP2AEHMT2
SCHEMBL7819465 0.83 TOP2A (0.42) TOP2AKAT2B
SCHEMBL7811019 0.83 TOP2A (0.40) TOP2AEHMT2

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 6 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
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