SCHEMBL29055035

SCHEMBL29055035

COc1cc2ncc(C#N)c(N3CCCN(CCN4C(=O)Cc5ccccc5C4=O)CC3)c2cc1OC

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 9/20 0.84
PDGFRB P09619 6/20 0.47
SRC P12931 4/20 0.42
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
SYK P43405 1/20 0.41

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
SCHEMBL30080166 1.00 ENPP1 (0.84) ENPP1PDGFRBSRCABL1EGFR
SCHEMBL30080157 0.95 ENPP1 (0.76) ENPP1PDGFRBSRCABL1EGFR
SCHEMBL29055078 0.95 ENPP1 (0.76) ENPP1PDGFRBSRCABL1EGFR
SCHEMBL23727241 0.91 ENPP1 (1.00) ENPP1PDGFRBSRC
SCHEMBL30117251 0.91 ENPP1 (1.00) ENPP1PDGFRBSRC
SCHEMBL30117257 0.87 ENPP1 (0.91) ENPP1PDGFRB
SCHEMBL23726534 0.87 ENPP1 (0.91) ENPP1PDGFRB
SCHEMBL30080080 0.83 ENPP1 (0.58) ENPP1
SCHEMBL25656154 0.81 ENPP1 (0.80) ENPP1PDGFRBSRC
SCHEMBL30080198 0.79 ENPP1 (0.52) ENPP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115362145-A Ecto-nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) inhibitors and methods of use thereof 斯汀格瑞治疗股份有限公司 2022-11-18 CN disclosed