SCHEMBL8965592

SCHEMBL8965592

CCOC(=O)Nc1cn2nc(OCc3cccc(N(C)C)c3)ccc2n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.42
CSNK1D P48730 1/20 0.41
SCN9A Q15858 1/20 0.41
KDM4E B2RXH2 3/20 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
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
PTGER1 P34995 1/20 0.38
PIK3CA P42336 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
SCHEMBL8966340 0.86 CSNK1D (0.52) KDRCSNK1DKDM4ERAB9ANPC1
Hydrochloric Acid SCHEMBL8965494 0.84 KDR (0.40) KDRCSNK1DPIK3CA
SCHEMBL8965850 0.81 KDR (0.45) KDRCSNK1DPIK3CA
SCHEMBL8965589 0.80 ALDH1A1 (0.46) KDRCSNK1DKDM4EDYRK3DYRK1A
SCHEMBL8965644 0.80 PIK3CA (0.42) KDRCSNK1DKDM4ERAB9ANPC1
SCHEMBL9370353 0.79 KDR (0.48) KDRPIK3CA
SCHEMBL8965609 0.78 KDR (0.46) KDRRAB9ANPC1
SCHEMBL8965662 0.78 ADORA3 (0.45) KDRCSNK1DDYRK3DYRK1ADYRK2
Hydrochloric Acid SCHEMBL8965648 0.77 KDR (0.45) KDRCSNK1DPIK3CA
SCHEMBL9373805 0.76 KDR (0.50) KDR

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