SCHEMBL8965979

SCHEMBL8965979

COc1cc(COc2ccc3nc(N(CCN4CCOCC4)C(=O)O)cn3n2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
ACKR3 P25106 1/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 2/20 0.37
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CFTR P13569 1/20 0.35
MITF O75030 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 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
SCHEMBL8966377 0.85 TP53 (0.41) ALDH1A1LMNAKDM4ETDP1TP53
SCHEMBL8965552 0.85 TP53 (0.39) ALDH1A1KDM4ETDP1TP53MAPT
SCHEMBL8965683 0.84 TP53 (0.38) ALDH1A1KDM4ETDP1HPGDHSD17B10
SCHEMBL8965636 0.81 TP53 (0.38) ALDH1A1LMNAKDM4ETDP1TP53
SCHEMBL9734268 0.80 TUBB1 (0.38) ALDH1A1KDM4EMAPK1TP53SMN1; SMN2
SCHEMBL8965584 0.75 TUBB1 (0.37) ALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL10519539 0.74 KDM4E (0.38) TSHRKDM4EMAPT
SCHEMBL8965608 0.74 KDM4E (0.44) KDM4ESMN1; SMN2
SCHEMBL8965523 0.71 PIK3CA (0.47) SMN1; SMN2
SCHEMBL8965590 0.70 PIK3CA (0.45) SMN1; SMN2

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