SCHEMBL7809049

SCHEMBL7809049

CN(C)CCNc1ccc2c3c(nn2C)-c2cnncc2C(=O)c13

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 4/20 0.39
KAT2B Q92831 3/20 0.39
TOP2A P11388 2/20 0.39
MALT1 Q9UDY8 1/20 0.36
MAPK13 O15264 1/20 0.36
EIF2AK2 P19525 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
BPTF Q12830 1/20 0.36
NQO2 P16083 6/20 0.36
NQO1 P15559 4/20 0.36
MITF O75030 1/20 0.36
TOP2B Q02880 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
SCHEMBL7816205 0.90 TOP2A (0.45) EHMT2KAT2BTOP2AMALT1
SCHEMBL7805085 0.88 ECE1 (0.40) EHMT2KAT2BTOP2AMALT1MAPK13
SCHEMBL7804639 0.88 ECE1 (0.40) EHMT2KAT2BTOP2AMALT1MAPK13
SCHEMBL7810135 0.88 TOP2A (0.43) EHMT2KAT2BTOP2ANQO2NQO1
SCHEMBL7808985 0.82 TOP2A (0.40) EHMT2KAT2BTOP2AMALT1NQO2
SCHEMBL8796279 0.82 TOP2A (0.46) EHMT2KAT2BTOP2AMALT1NQO2
SCHEMBL7808635 0.82 KAT2B (0.41) KAT2BTOP2ANQO2NQO1MITF
SCHEMBL7820210 0.82 KAT2B (0.45) EHMT2KAT2BTOP2AMALT1MAPK13
SCHEMBL7816371 0.82 KAT2B (0.45) EHMT2KAT2BTOP2AMALT1NQO2
SCHEMBL9197796 0.82 TOP2B (0.46) EHMT2TOP2AMALT1NQO1TOP2B

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