SCHEMBL7810012

SCHEMBL7810012

CN(C)CCNc1ccc2c3c(nn2CCN)-c2cccnc2C(=O)c13

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 8/20 0.45
IDO1 P14902 4/20 0.41
TDO2 P48775 2/20 0.41
KAT2B Q92831 2/20 0.39
EHMT2 Q96KQ7 3/20 0.38
MALT1 Q9UDY8 1/20 0.35

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
SCHEMBL7808475 0.93 TOP2A (0.47) TOP2AIDO1TDO2KAT2BEHMT2
SCHEMBL7810394 0.93 TOP2A (0.45) TOP2AIDO1TDO2KAT2BEHMT2
SCHEMBL7819270 0.93 TOP2A (0.43) TOP2AIDO1TDO2KAT2BEHMT2
SCHEMBL7809337 0.90 TOP2A (0.49) TOP2A
SCHEMBL7821409 0.89 TOP2A (0.40) TOP2AKAT2B
SCHEMBL7820210 0.88 KAT2B (0.45) TOP2AIDO1TDO2KAT2BEHMT2
SCHEMBL7816428 0.86 TOP2A (0.45) TOP2AIDO1TDO2KAT2BEHMT2
SCHEMBL7817109 0.85 TOP2A (0.44) TOP2AIDO1TDO2KAT2BEHMT2
SCHEMBL7810135 0.84 TOP2A (0.43) TOP2AKAT2BEHMT2
SCHEMBL7810327 0.83 ECE1 (0.43) TOP2AKAT2BEHMT2MALT1

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