SCHEMBL7809332

SCHEMBL7809332

Cn1nc2c3c(c(Cl)ccc31)C(=O)c1cccnc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.45
NSD2 O96028 1/20 0.45
ABL1 P00519 1/20 0.45
PLCG1 P19174 1/20 0.45
CES1 P23141 1/20 0.45
PAX8 Q06710 1/20 0.45
RIN1 Q13671 1/20 0.45
GAA P10253 1/20 0.45
MAPK13 O15264 1/20 0.44
EIF2AK2 P19525 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
S100A4 P26447 5/20 0.43
CDC25B P30305 2/20 0.43
CTSL P07711 1/20 0.39
PTPRC P08575 1/20 0.39
CTSS P25774 1/20 0.39
PTPN13 Q12923 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL7818680 0.90 MAPK13 (0.47) TDP2NSD2ABL1PLCG1CES1
SCHEMBL10806544 0.84 MAPK13 (0.62) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL7819985 0.82 TOP2A (0.51) TDP2NSD2ABL1PLCG1CES1
SCHEMBL7812072 0.77 MAPK13 (0.44) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL7816371 0.76 KAT2B (0.45) S100A4TOP2AIDO1
SCHEMBL7816711 0.72 TOP2A (0.51) S100A4CDC25BTDP1TOP2AIDO1
SCHEMBL10799732 0.72 MAPK13 (0.38) GAAMAPK13EIF2AK2MAPK12MAPK11
SCHEMBL17077597 0.68 TDP2 (0.66) TDP2NSD2ABL1PLCG1CES1
SCHEMBL7816428 0.67 TOP2A (0.45) TOP2AIDO1
SCHEMBL7820210 0.67 KAT2B (0.45) MAPK13EIF2AK2MAPK12MAPK11MAPK14

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 4 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
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