SCHEMBL8965947

SCHEMBL8965947

CCOC(=O)c1cn2nc(OCc3cc(OC)c(OC)c(OC)c3)ccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.61
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
RXFP1 Q9HBX9 1/20 0.50
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.41
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 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
SCHEMBL8965608 0.87 KDM4E (0.44) KDM4ERAB9ANPC1KMT2AL3MBTL1
SCHEMBL8965644 0.83 PIK3CA (0.42) KDM4ERAB9ANPC1KMT2AL3MBTL1
SCHEMBL8966052 0.82 KDM4E (0.40) KDM4ERAB9ANPC1KMT2AL3MBTL1
SCHEMBL8965523 0.80 PIK3CA (0.47)
SCHEMBL8965590 0.78 PIK3CA (0.45) KMT2ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9369315 0.78 PIK3CA (0.46) KDM4ERAB9ANPC1KMT2AL3MBTL1
SCHEMBL8965525 0.78 PIK3CA (0.41) KDM4E
SCHEMBL9734268 0.78 TUBB1 (0.38) KDM4EKMT2AL3MBTL1TUBB4ATUBB
SCHEMBL8965584 0.77 TUBB1 (0.37) KDM4EKMT2AL3MBTL1TUBB4ATUBB
SCHEMBL8965552 0.77 TP53 (0.39) KDM4ETDP1POLBTUBB4ATUBB

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 6 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