SCHEMBL8965589

SCHEMBL8965589

CCOC(=O)Nc1cn2nc(OCc3cccc4ccccc34)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 6/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
CSNK1D P48730 1/20 0.41
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
KDR P35968 4/20 0.39
DYRK3 O43781 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK2 Q92630 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PDE10A Q9Y233 1/20 0.38
PIK3CA P42336 1/20 0.37

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
SCHEMBL8965759 0.93 MEN1 (0.40) ALDH1A1HPGDKDM4ERAB9ANPC1
SCHEMBL8965637 0.91 ATM (0.44) KMT2AMEN1CSNK1DKDRPDE10A
SCHEMBL9369862 0.89 MEN1 (0.42) KDM4ERAB9ANPC1KMT2AMEN1
SCHEMBL8965592 0.80 KDR (0.42) KDM4ERAB9ANPC1CSNK1DKDR
SCHEMBL8965899 0.79 KDR (0.40) KDM4ECSNK1DKDRPIK3CA
SCHEMBL8965599 0.79 KDM4E (0.46) KDM4ERAB9ANPC1KMT2AKDR
SCHEMBL8965537 0.78 RIPK1 (0.43) CSNK1DKDRPIK3CA
SCHEMBL8965644 0.77 PIK3CA (0.42) ALDH1A1KDM4ERAB9ANPC1KMT2A
SCHEMBL9280653 0.77 CSNK1D (0.44) ALDH1A1HPGDKDM4ECSNK1DPDE10A
SCHEMBL8966250 0.77 CSNK1D (0.39) CSNK1DKDRPDE10APIK3CA

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 7 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
EP-0305093-A1 Imidazo(1,2-b)pyridazine derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1989-03-01 EP disclosed