SCHEMBL7808635

SCHEMBL7808635

CN(C)CCNc1ccc2c3c(nn2C)-c2nccnc2C(=O)c13

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 4/20 0.41
NQO2 P16083 11/20 0.39
NQO1 P15559 5/20 0.39
SMARCA2 P51531 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MITF O75030 1/20 0.37
TOP2A P11388 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
SCHEMBL7819465 0.90 TOP2A (0.42) KAT2BNQO2NQO1SMARCA2KEAP1
SCHEMBL7820210 0.88 KAT2B (0.45) KAT2BNQO2TOP2A
SCHEMBL7816371 0.88 KAT2B (0.45) KAT2BNQO2TOP2A
SCHEMBL7821409 0.87 TOP2A (0.40) KAT2BNQO2NQO1SMARCA2KEAP1
SCHEMBL7809049 0.82 EHMT2 (0.39) KAT2BNQO2NQO1MITFTOP2A
SCHEMBL7805085 0.81 ECE1 (0.40) KAT2BTOP2A
SCHEMBL7804639 0.81 ECE1 (0.40) KAT2BNQO2NQO1TOP2A
SCHEMBL7808475 0.79 TOP2A (0.47) KAT2BTOP2A
SCHEMBL7816428 0.79 TOP2A (0.45) KAT2BTOP2A
SCHEMBL7808985 0.78 TOP2A (0.40) KAT2BNQO2NQO1SMARCA2KEAP1

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