SCHEMBL7812072

SCHEMBL7812072

Cn1nc2c3c(c(Cl)ccc31)C(=O)c1cnccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
CDC25B P30305 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
CASP1 P29466 2/20 0.38
BLM P54132 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TOP2A P11388 8/20 0.34
KDM4C Q9H3R0 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL10806544 0.84 MAPK13 (0.62) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL8847912 0.82 TOP2A (0.46) CDC25BSMN1; SMN2TP53CYP3A4MAPT
SCHEMBL8848089 0.82 TOP2A (0.46) CDC25BSMN1; SMN2TP53CYP3A4MAPT
SCHEMBL7817561 0.82 TOP2A (0.41) CDC25BSMN1; SMN2TP53CYP3A4MAPT
SCHEMBL7804662 0.82 TOP2A (0.48) CDC25BSMN1; SMN2TP53CYP3A4MAPT
SCHEMBL8847987 0.80 TOP2A (0.45) CDC25BTOP2A
SCHEMBL7814010 0.80 TOP2A (0.45) CDC25BSMN1; SMN2TOP2AFGFR1SRC
SCHEMBL7812061 0.80 TOP2A (0.45) TOP2A
SCHEMBL7827882 0.78 CDC25B (0.39) CDC25BSMN1; SMN2TP53CYP3A4MAPT
SCHEMBL7827886 0.77 TOP2A (0.36) CDC25BSMN1; SMN2TP53CYP3A4MAPT

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 9 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
EP-0662076-B1 2-AMINOALKYL-5-AMINOALKYLAMINO SUBSTITUTED ISOQUINOINDAZOLE-6-(2H)-ONES WITH ANTITUMOUR ACTIVITY UNIV VERMONT (US) 2001-04-11 EP disclosed
US-5604246-A HAVING POTENCY AGAINST MULTIDRUG RESISTANT TUMORS BOEHRINGER MANNHEIM ITALIA SPA (IT) 1997-02-18 US 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
US-5519029-A ANTITUMOR AGENTS BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1996-05-21 US disclosed
WO-1995024407-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1995-09-14 WO disclosed
EP-0662076-A1 2-AMINOALKYL-5-AMINOALKYLAMINO SUBSTITUTED ISOQUINOINDAZOLE-6-(2H)-ONES WITH ANTITUMOUR ACTIVITY THE UNIVERSITY OF VERMONT (US) 1995-07-12 EP disclosed
WO-1994006795-A1 2-AMINOALKYL-5-AMINOALKYLAMINO SUBSTITUTED ISOQUINOINDAZOLE-6-(2H)-ONES WITH ANTITUMOUR ACTIVITY THE UNIVERSITY OF VERMONT (US) 1994-03-31 WO disclosed