SCHEMBL7814010

SCHEMBL7814010

CCN(CC)CCn1nc2c3c(c(Cl)ccc31)C(=O)c1cnccc1-2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 14/20 0.45
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
POLB P06746 1/20 0.43
DNMT1 P26358 1/20 0.43
HTT P42858 1/20 0.43
RAD52 P43351 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
UHRF1 Q96T88 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TOP2B Q02880 2/20 0.39
FGFR1 P11362 4/20 0.35
SRC P12931 4/20 0.35
CDC25B P30305 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
SCHEMBL7804662 0.90 TOP2A (0.48) TOP2ASMN1; SMN2CDC25B
SCHEMBL10799708 0.87 POLB (0.55) TOP2ANPC1MITFPOLBDNMT1
SCHEMBL7812061 0.86 TOP2A (0.45) TOP2A
SCHEMBL8848089 0.84 TOP2A (0.46) TOP2ASMN1; SMN2CDC25B
SCHEMBL8847912 0.84 TOP2A (0.46) TOP2ASMN1; SMN2CDC25B
SCHEMBL7817561 0.83 TOP2A (0.41) TOP2ANPC1HTTRAB9ASMN1; SMN2
SCHEMBL8847987 0.82 TOP2A (0.45) TOP2ACDC25B
SCHEMBL7812072 0.80 MAPK13 (0.44) TOP2ASMN1; SMN2FGFR1SRCCDC25B
SCHEMBL7804837 0.79 TOP2A (0.50) TOP2ASMN1; SMN2CDC25B
SCHEMBL10801535 0.78 TOP2A (0.42) TOP2ANPC1MITFPOLBDNMT1

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