SCHEMBL8965585

SCHEMBL8965585

COC(=O)Nc1cn2nc(CCc3cc(OC)c(OC)c(OC)c3)ccc2n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.43
DHFR P00374 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CG P48736 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 0.38
TUBA1C Q9BQE3 2/20 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
SCHEMBL8966239 0.85 PIK3CA (0.43) PIK3CAPIK3CDPIK3CGKMT2AMEN1
SCHEMBL8965590 0.82 PIK3CA (0.45) PIK3CAPIK3CDPIK3CGKMT2AMEN1
SCHEMBL8966075 0.81 RXFP1 (0.44) PIK3CAPIK3CDPIK3CGRIPK1MAPT
SCHEMBL8965611 0.78 PIK3CA (0.45) PIK3CAHDAC6PIK3CDPIK3CGTUBB4A
SCHEMBL8965620 0.78 TUBB4A (0.48) PIK3CADHFRPIK3CDPIK3CGKMT2A
SCHEMBL8965977 0.76 PIK3CA (0.44) PIK3CAPIK3CDPIK3CGKMT2ARIPK1
SCHEMBL8965972 0.75 PIK3CA (0.46) PIK3CAPIK3CDPIK3CGKMT2AMEN1
SCHEMBL8965644 0.75 PIK3CA (0.42) PIK3CAKMT2ARIPK1CSNK1DNPC1
SCHEMBL8965909 0.74 PIK3CA (0.42) PIK3CAPIK3CDPIK3CGRIPK1ALDH1A1
SCHEMBL8965523 0.74 PIK3CA (0.47) PIK3CAPIK3CDPIK3CGRIPK1CSNK1D

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