SCHEMBL8965636

SCHEMBL8965636

COc1cc(COc2ccc3nc(N(CC(F)(F)F)C(=O)O)cn3n2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.38
ALDH1A1 P00352 2/20 0.35
PDE10A Q9Y233 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 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
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 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 0.87 TP53 (0.39) TP53ALDH1A1POLBTDP1TUBB4A
SCHEMBL8966377 0.87 TP53 (0.41) TP53ALDH1A1POLBTDP1TUBB4A
SCHEMBL8965683 0.85 TP53 (0.38) TP53ALDH1A1MEN1KMT2APOLB
SCHEMBL9734268 0.85 TUBB1 (0.38) TP53ALDH1A1PDE10AMEN1KMT2A
SCHEMBL8965979 0.81 ALDH1A1 (0.39) TP53ALDH1A1POLBTDP1MAPT
SCHEMBL8965584 0.80 TUBB1 (0.37) TP53ALDH1A1MEN1KMT2ATUBB4A
Trifluoroacetic Acid SCHEMBL8965699 0.79 PDE10A (0.38) PDE10ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10519539 0.79 KDM4E (0.38) PDE10AKMT2AMAPTKDM4E
SCHEMBL8965608 0.78 KDM4E (0.44) PDE10AKMT2ATUBB4ATUBBTUBA3C
SCHEMBL8965523 0.76 PIK3CA (0.47)

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