SCHEMBL8965611

SCHEMBL8965611

C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2nc(NC(=O)OC)cn2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.45
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 0.42
TUBB6 Q9BUF5 2/20 0.42
TUBB2B Q9BVA1 2/20 0.42
TUBB1 Q9H4B7 2/20 0.42
POLB P06746 2/20 0.40
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
HDAC8 Q9BY41 3/20 0.39

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
SCHEMBL8965585 0.78 PIK3CA (0.43) PIK3CATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8965590 0.77 PIK3CA (0.45) PIK3CATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8965620 0.77 TUBB4A (0.48) PIK3CATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8966075 0.76 RXFP1 (0.44) PIK3CAPOLBCSNK1DCSNK1EPIK3CD
SCHEMBL8966239 0.76 PIK3CA (0.43) PIK3CACSNK1DCSNK1EPIK3CDPIK3CG
SCHEMBL8965977 0.71 PIK3CA (0.44) PIK3CACSNK1DPIK3CDPIK3CGKDM4E
SCHEMBL8966197 0.71 PIK3CA (0.41) PIK3CACSNK1DCSNK1EPIK3CDPIK3CG
SCHEMBL8965644 0.70 PIK3CA (0.42) PIK3CACSNK1DKDM4E
SCHEMBL8965909 0.69 PIK3CA (0.42) PIK3CAPIK3CDPIK3CGSMN1; SMN2
SCHEMBL8965523 0.69 PIK3CA (0.47) PIK3CACSNK1DCSNK1EPIK3CDPIK3CG

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