SCHEMBL8965759

SCHEMBL8965759

CCCOC(=O)Nc1cn2nc(OCc3cccc4ccccc34)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CSNK1D P48730 1/20 0.40
KDR P35968 7/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP10 Q53GL7 1/20 0.35
EPHX1 P07099 1/20 0.35
PIK3CA P42336 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL8965589 0.93 ALDH1A1 (0.46) MEN1KMT2ACSNK1DKDRNPC1
SCHEMBL8965637 0.89 ATM (0.44) MEN1KMT2ACSNK1DKDRATM
SCHEMBL9369862 0.85 MEN1 (0.42) MEN1KMT2AKDRNPC1RAB9A
SCHEMBL8966209 0.81 KDR (0.40) CSNK1DKDRRAB9AKDM4EALDH1A1
SCHEMBL8965635 0.79 KDM4E (0.41) KMT2AKDRKDM4ESMN1; SMN2PIK3CA
SCHEMBL8965525 0.78 PIK3CA (0.41) CSNK1DKDRKDM4ESMN1; SMN2PIK3CA
SCHEMBL8965899 0.78 KDR (0.40) CSNK1DKDRKDM4EPIK3CA
SCHEMBL8965537 0.77 RIPK1 (0.43) CSNK1DKDRSMN1; SMN2PIK3CA
SCHEMBL8966250 0.75 CSNK1D (0.39) CSNK1DKDRPIK3CAPDE10A
SCHEMBL9280653 0.75 CSNK1D (0.44) CSNK1DKDM4EALDH1A1HPGDPIK3CA

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