SCHEMBL8965683

SCHEMBL8965683

CCCCN(C(=O)O)c1cn2nc(OCc3cc(OC)c(OC)c(OC)c3)ccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 1/20 0.36
UBE2N P61088 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 0.35
POLB P06746 2/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34

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
SCHEMBL8965552 0.94 TP53 (0.39) TP53ALDH1A1KDM4EMAPTPOLB
SCHEMBL8966377 0.91 TP53 (0.41) TP53ALDH1A1KDM4EMAPTPOLB
SCHEMBL8965636 0.85 TP53 (0.38) TP53ALDH1A1KDM4EMAPTPOLB
SCHEMBL9734268 0.85 TUBB1 (0.38) TP53ALDH1A1KDM4ESMN1; SMN2TUBB4A
SCHEMBL8965979 0.84 ALDH1A1 (0.39) TP53ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL10519539 0.80 KDM4E (0.38) KDM4EMAPTNPC1KMT2A
SCHEMBL8965584 0.80 TUBB1 (0.37) TP53ALDH1A1KDM4ESMN1; SMN2TUBB4A
SCHEMBL8965608 0.78 KDM4E (0.44) KDM4ESMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL8965523 0.76 PIK3CA (0.47) SMN1; SMN2
SCHEMBL8965653 0.76 KDR (0.41) ALDH1A1KDM4EHSD17B10

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
EP-0305093-A1 Imidazo(1,2-b)pyridazine derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1989-03-01 EP claimed
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
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