SCHEMBL8965781

SCHEMBL8965781

CCCN(C(=O)O)c1cn2nc(OCc3cccc4ccccc34)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PDE10A Q9Y233 4/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FFAR1 O14842 1/20 0.36
AKR1B1 P15121 1/20 0.36
CNR2 P34972 2/20 0.36
BCHE P06276 1/20 0.36
PARP10 Q53GL7 2/20 0.36
CMA1 P23946 1/20 0.36
CDYL Q9Y232 1/20 0.35
EDNRA P25101 1/20 0.35
PARP15 Q460N3 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 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
SCHEMBL8966220 0.81 RAB9A (0.38) KDM4ENPC1RAB9APDE10AKMT2A
SCHEMBL8965552 0.77 TP53 (0.39) KDM4EAKR1B1
SCHEMBL9369862 0.76 MEN1 (0.42) KDM4ENPC1RAB9APDE10AMEN1
SCHEMBL8965759 0.75 MEN1 (0.40) KDM4ENPC1RAB9APDE10AMEN1
SCHEMBL8965637 0.75 ATM (0.44) PDE10AMEN1KMT2ACNR2PARP10
SCHEMBL8965683 0.72 TP53 (0.38) KDM4ENPC1MEN1KMT2A
SCHEMBL8965899 0.64 KDR (0.40) KDM4E
SCHEMBL9369008 0.63 PIK3CA (0.45) PDE10A
SCHEMBL2517757 0.63 RAB9A (0.34) KDM4ENPC1RAB9APDE10AKMT2A
SCHEMBL9280653 0.62 CSNK1D (0.44) KDM4EPDE10A

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
US-5538970-A Treatment of cancer with imidazo-1,2-pyridazin compounds GLAXO WELLCOME INC. (US) 1996-07-23 US disclosed
US-5447956-A Anticarcinogenic agents BURROUGHS WELLCOME CO. (US) 1995-09-05 US disclosed
US-5380759-A Methyl N-[6-(3,4,5-trimethoxybenzloxy)imidazo[1,2-b]pyridazin-2-zyl]carbamate used to treat leukemia BURROUGHS WELLCOME CO. (US) 1995-01-10 US disclosed
US-5371219-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1994-12-06 US disclosed
EP-0305093-B1 Imidazo(1,2-b)pyridazine derivatives WELLCOME FOUND (GB) 1994-04-06 EP disclosed
US-5091531-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1992-02-25 US disclosed