SCHEMBL8965584

SCHEMBL8965584

COC(=O)N(C)c1cn2nc(OCc3cc(OC)c(OC)c(OC)c3)ccc2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
MAOB P27338 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ULK1 O75385 1/20 0.35
TNFRSF1A P19438 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL9734268 0.91 TUBB1 (0.38) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10519539 0.84 KDM4E (0.38) TNFRSF1APIK3CDPIK3CAPIK3CGKMT2A
SCHEMBL8965552 0.82 TP53 (0.39) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8966377 0.82 TP53 (0.41) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8965608 0.80 KDM4E (0.44) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8965683 0.80 TP53 (0.38) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8965636 0.80 TP53 (0.38) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8965590 0.80 PIK3CA (0.45) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8965523 0.80 PIK3CA (0.47) MAOBSMN1; SMN2PIK3CDPIK3CAPIK3CG
SCHEMBL8966177 0.77 PIK3CA (0.40) MAOBSMN1; SMN2ALDH1A1PIK3CDPIK3CA

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 5 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
US-5091531-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1992-02-25 US disclosed