SCHEMBL8965661

SCHEMBL8965661

COc1cc(CSc2ccc(N)nn2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GALR3 O60755 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
CYP19A1 P11511 1/20 0.44
MAPT P10636 3/20 0.43
RECQL P46063 1/20 0.43
POLB P06746 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
PTGS2 P35354 1/20 0.41
QPCT Q16769 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39

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
SCHEMBL10480556 0.76 POLB (0.49) RAB9AALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL8965596 0.74 CYP19A1 (0.58) CYP19A1HTR2AHTR2CHTR2BPTGS2
SCHEMBL8965564 0.72 TUBB1 (0.48) ALDH1A1TSHRCYP19A1HTR2AHTR2C
SCHEMBL3499813 0.72 RAB9A (0.56) RAB9AALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL8966084 0.70 CYP19A1 (0.50) ALDH1A1TSHRCYP19A1HTR2AHTR2C
SCHEMBL8530355 0.69 CA2 (0.48) RAB9AALDH1A1HTTSMN1; SMN2GALR3
SCHEMBL10614759 0.69 PTGS2 (0.61) ALDH1A1CYP19A1MAPTHTR2AHTR2C
SCHEMBL6338880 0.68 TUBB4A (0.60) RAB9AALDH1A1HTTSMN1; SMN2GALR3
SCHEMBL20821454 0.67 PTGS2 (0.59) ALDH1A1SMN1; SMN2LMNACYP19A1MAPT
SCHEMBL8529307 0.67 PTGS2 (0.50) RAB9AALDH1A1HTTSMN1; SMN2GALR3

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