SCHEMBL8965608

SCHEMBL8965608

COc1cc(COc2ccc3nc(C(=O)O)cn3n2)cc(OC)c1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
TUBB1 Q9H4B7 2/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
P4HTM Q9NXG6 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8966052 0.94 KDM4E (0.40) KDM4ERAB9ANPC1TUBB1TUBB4A
SCHEMBL8965947 0.87 KDM4E (0.61) KDM4ERAB9ANPC1TUBB1TUBB4A
SCHEMBL8965523 0.84 PIK3CA (0.47) SMN1; SMN2MAOB
SCHEMBL9734268 0.83 TUBB1 (0.38) KDM4ETUBB1TUBB4ATUBBTUBA3C
SCHEMBL8965590 0.82 PIK3CA (0.45) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Trifluoroacetic Acid SCHEMBL8965699 0.81 PDE10A (0.38) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8965584 0.80 TUBB1 (0.37) KDM4ETUBB1TUBB4ATUBBTUBA3C
SCHEMBL8966377 0.80 TP53 (0.41) KDM4ETUBB1TUBB4ATUBBTUBA3C
SCHEMBL8965552 0.80 TP53 (0.39) KDM4ETUBB1TUBB4ATUBBTUBA3C
SCHEMBL14964178 0.79 KDM4E (0.53) KDM4ERAB9ANPC1KMT2AL3MBTL1

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