SCHEMBL28821131

SCHEMBL28821131

CC(NC(=O)OC(C)(C)C)c1ccc(Nc2ncc(C(F)(F)F)c(C#Cc3ccccc3CCC(=O)O)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FLT4 P35916 7/20 0.57
▸ KDR P35968 3/20 0.37
▸ CDK1 P06493 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ PTK2 Q05397 7/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ SCN9A Q15858 2/20 0.36
▸ NPR3 P17342 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ PTK2B Q14289 1/20 0.36
▸ NTRK3 Q16288 1/20 0.36
▸ NTRK2 Q16620 1/20 0.36

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
SCHEMBL15588325 0.89 FLT4 (0.56) FLT4KDRCDK1CDK2PTK2
SCHEMBL15524161 0.89 FLT4 (0.56) FLT4KDRCDK1CDK2PTK2
SCHEMBL28024447 0.86 FLT4 (0.73) FLT4PTK2
SCHEMBL15506743 0.81 FLT4 (0.71) FLT4KDR
SCHEMBL15588326 0.79 FLT4 (0.73) FLT4PTK2
SCHEMBL15524187 0.79 FLT4 (0.73) FLT4PTK2
SCHEMBL15588323 0.76 FLT4 (0.76) FLT4PTK2
SCHEMBL15588327 0.76 FLT4 (0.72) FLT4PTK2
SCHEMBL15524361 0.76 FLT4 (0.72) FLT4PTK2
SCHEMBL1627765 0.76 FLT4 (0.58) FLT4KDRCDK1CDK2PTK2

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-104837835-A VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LTD 2015-08-12 — — CN disclosed
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