SCHEMBL7810135

SCHEMBL7810135

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 11/20 0.43
EHMT2 Q96KQ7 4/20 0.36
KAT2B Q92831 2/20 0.35
NQO2 P16083 2/20 0.33
NQO1 P15559 2/20 0.33
MITF O75030 1/20 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
SCHEMBL7816205 0.93 TOP2A (0.45) TOP2AEHMT2KAT2B
SCHEMBL7809341 0.90 TOP2A (0.47) TOP2A
SCHEMBL7810327 0.90 ECE1 (0.43) TOP2AEHMT2KAT2B
SCHEMBL7809049 0.88 EHMT2 (0.39) TOP2AEHMT2KAT2BNQO2NQO1
SCHEMBL7809335 0.84 TOP2A (0.44) TOP2AEHMT2KAT2BNQO2NQO1
SCHEMBL7810277 0.84 TOP2A (0.42) TOP2AEHMT2
SCHEMBL7821409 0.84 TOP2A (0.40) TOP2AKAT2BNQO2NQO1MITF
SCHEMBL7819270 0.84 TOP2A (0.43) TOP2AEHMT2KAT2B
SCHEMBL7810012 0.84 TOP2A (0.45) TOP2AEHMT2KAT2B
SCHEMBL7819388 0.83 TOP2A (0.40) TOP2AEHMT2KAT2BNQO2

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
EP-0750619-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA S.p.A. (IT) 1997-01-02 EP 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