SCHEMBL8965955

SCHEMBL8965955

COC(=O)Nc1cn2nc(OCc3cc(C)ccc3C)ccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.43
PDGFRB P09619 2/20 0.41
FLT1 P17948 2/20 0.41
ABL1 P00519 1/20 0.41
CSF1R P07333 1/20 0.41
YES1 P07947 1/20 0.41
RET P07949 1/20 0.41
BCR P11274 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT4 P35916 1/20 0.41
ABL2 P42684 1/20 0.41
DDR1 Q08345 1/20 0.41
DDR2 Q16832 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
Q6ZSR9 Q6ZSR9 1/20 0.41
NEK1 Q96PY6 1/20 0.41
BMP2K Q9NSY1 1/20 0.41
PIK3CA P42336 2/20 0.39
RAB9A P51151 1/20 0.38
AURKA O14965 1/20 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
SCHEMBL9369384 0.92 KDR (0.44) KDRPDGFRBFLT1ABL1CSF1R
SCHEMBL8966209 0.89 KDR (0.40) KDRPDGFRBFLT1ABL1CSF1R
SCHEMBL8965615 0.84 RIPK1 (0.41) KDRPIK3CARAB9A
SCHEMBL8965850 0.84 KDR (0.45) KDRPDGFRBFLT1RETPIK3CA
SCHEMBL8965537 0.80 RIPK1 (0.43) KDRPIK3CA
SCHEMBL8965591 0.80 PIK3CA (0.43) KDRPIK3CA
SCHEMBL8965637 0.80 ATM (0.44) KDRPIK3CA
SCHEMBL8965640 0.79 KDR (0.44) KDRPDGFRBFLT1PIK3CAAURKA
SCHEMBL8965933 0.79 KDR (0.40) KDRPIK3CA
SCHEMBL9280653 0.79 CSNK1D (0.44) PIK3CA

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