SCHEMBL8965601

SCHEMBL8965601

COc1cc(COc2ccc3nc(NC(=O)OCC(F)(F)F)cn3n2)cc(OC)c1OC

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 11/20 0.42
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
PIK3CA P42336 1/20 0.40
MAPK1 P28482 1/20 0.40
CSNK1D P48730 2/20 0.39
CSNK1E P49674 1/20 0.39
KDR P35968 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL8965644 0.89 PIK3CA (0.42) RIPK1KMT2APIK3CACSNK1DKDR
SCHEMBL8965590 0.89 PIK3CA (0.45) RIPK1MEN1KMT2APIK3CACSNK1D
SCHEMBL8965972 0.87 PIK3CA (0.46) RIPK1MEN1KMT2APIK3CACSNK1D
SCHEMBL8966365 0.87 PIK3CA (0.41) RIPK1MEN1KMT2APIK3CACSNK1D
SCHEMBL8965525 0.87 PIK3CA (0.41) RIPK1PIK3CACSNK1DKDRSMN1; SMN2
SCHEMBL8965909 0.86 PIK3CA (0.42) RIPK1PIK3CAKDRSMN1; SMN2
SCHEMBL8965653 0.86 KDR (0.41) PIK3CACSNK1DKDRLMNA
SCHEMBL8966177 0.85 PIK3CA (0.40) RIPK1CYP2C19PIK3CAMAPK1CSNK1D
SCHEMBL8965523 0.85 PIK3CA (0.47) RIPK1PIK3CACSNK1DCSNK1EKDR
SCHEMBL8965694 0.84 PIK3CA (0.39) RIPK1PIK3CACSNK1DCSNK1EKDR

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