SCHEMBL7836237

SCHEMBL7836237

CN(C)CCn1nc2c3c(c(NCCNC(=O)OC(C)(C)C)ccc31)C(=O)c1ncccc1-2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 10/20 0.43
MALT1 Q9UDY8 1/20 0.43
IDO1 P14902 4/20 0.39
TDO2 P48775 2/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
TDP2 O95551 1/20 0.36
BRD4 O60885 1/20 0.34
CDK2 P24941 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
SCHEMBL7838016 0.94 MALT1 (0.43) TOP2AMALT1IDO1TDO2DDB1
SCHEMBL7808475 0.86 TOP2A (0.47) TOP2AMALT1IDO1TDO2
SCHEMBL7810394 0.83 TOP2A (0.45) TOP2AIDO1TDO2
SCHEMBL7810012 0.80 TOP2A (0.45) TOP2AMALT1IDO1TDO2
SCHEMBL7810494 0.80 TOP2A (0.40) TOP2AMALT1IDO1
SCHEMBL7816428 0.79 TOP2A (0.45) TOP2AIDO1TDO2
SCHEMBL7816796 0.78 TOP2A (0.44) TOP2AMALT1IDO1DDB1CRBN
SCHEMBL7804755 0.78 TOP2A (0.44) TOP2AMALT1IDO1DDB1CRBN
SCHEMBL7820210 0.78 KAT2B (0.45) TOP2AMALT1IDO1TDO2
SCHEMBL7819756 0.77 TOP2A (0.45) TOP2AMALT1IDO1DDB1CRBN

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1995024407-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1995-09-14 WO disclosed