SCHEMBL8965564

SCHEMBL8965564

COc1cc(COc2ccc(N)nn2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 3/20 0.48
TUBB4A P04350 2/20 0.48
TUBB P07437 2/20 0.48
TUBA3C P0DPH7 2/20 0.48
TUBA1B P68363 2/20 0.48
TUBA4A P68366 2/20 0.48
TUBB4B P68371 2/20 0.48
TUBB3 Q13509 2/20 0.48
TUBB2A Q13885 2/20 0.48
TUBB8 Q3ZCM7 2/20 0.48
TUBA3E Q6PEY2 2/20 0.48
TUBA1A Q71U36 2/20 0.48
TUBA1C Q9BQE3 2/20 0.48
TUBB6 Q9BUF5 2/20 0.48
TUBB2B Q9BVA1 2/20 0.48
ABCB1 P08183 2/20 0.46
CYP19A1 P11511 1/20 0.45
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL8966307 0.90 HTR2A (0.49) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8966084 0.86 CYP19A1 (0.50) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8965823 0.84 TUBB4A (0.34) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8965593 0.82 NOS1 (0.45) ABCB1CYP19A1MEN1ALDH1A1KMT2A
SCHEMBL8966278 0.80 HSP90AA1 (0.43) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8966305 0.77 ABCB1 (0.49) ABCB1DHFR
SCHEMBL10533393 0.77 NPC1 (0.50) ALDH1A1
SCHEMBL8965867 0.77 FFAR1 (0.38) ALDH1A1
SCHEMBL8965939 0.75 MAOB (0.55) ABCB1
SCHEMBL8965974 0.75 IDO1 (0.51) ABCB1ALDH1A1

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 9 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
CN-1085901-A Preparation contains the method for the antineoplastic pharmaceutical compositions of Imidazopyridazine derivative WELLCOME FOUND (GB) 1994-04-27 CN 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
CN-1031532-A HETEROCYCLIC COMPOUNDS WELLCOME FOUND (GB) 1989-03-08 CN disclosed
EP-0305093-A1 Imidazo(1,2-b)pyridazine derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1989-03-01 EP disclosed