SCHEMBL8965637

SCHEMBL8965637

COC(=O)Nc1cn2nc(OCc3cccc4ccccc34)ccc2n1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDR P35968 6/20 0.41
CSNK1D P48730 1/20 0.39
PARP10 Q53GL7 2/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
PARP15 Q460N3 1/20 0.38
RIPK1 Q13546 2/20 0.38
PIK3CA P42336 1/20 0.37
PDE10A Q9Y233 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL8965589 0.91 ALDH1A1 (0.46) MEN1KMT2AKDRCSNK1DPIK3CA
SCHEMBL9369862 0.90 MEN1 (0.42) MEN1KMT2AKDRPARP10RIPK1
SCHEMBL8965759 0.89 MEN1 (0.40) ATMMEN1KMT2AKDRCSNK1D
SCHEMBL8965615 0.89 RIPK1 (0.41) KDRCSNK1DRIPK1PIK3CAPDE10A
SCHEMBL8965899 0.88 KDR (0.40) KDRCSNK1DRIPK1PIK3CA
SCHEMBL8965537 0.87 RIPK1 (0.43) KDRCSNK1DRIPK1PIK3CA
SCHEMBL8965933 0.85 KDR (0.40) KDRCSNK1DRIPK1PIK3CAPDE10A
SCHEMBL8966250 0.85 CSNK1D (0.39) KDRCSNK1DRIPK1PIK3CAPDE10A
SCHEMBL8966017 0.84 KDR (0.41) KDRCSNK1DRIPK1PIK3CA
SCHEMBL8965870 0.81 PDE10A (0.42) KDRCSNK1DPIK3CAPDE10A

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
EP-0305093-A1 Imidazo(1,2-b)pyridazine derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1989-03-01 EP claimed
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
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