SCHEMBL21036818

SCHEMBL21036818

CN1C(=O)/C(=C/c2ccc(N(C)CCOC(=O)NOc3nc(N)nc4[nH]cnc34)cc2)N=C1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.38
MAPK3 P27361 13/20 0.36
MAPK1 P28482 13/20 0.36
MAPK14 Q16539 13/20 0.36
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DHFR P00374 1/20 0.34
PTGS2 P35354 1/20 0.34
PPARG P37231 1/20 0.33
CYBB P04839 1/20 0.32
NOX4 Q9NPH5 1/20 0.32

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
SCHEMBL21037401 0.88 KDR (0.34) KDRMAPK3MAPK1MAPK14KMT2A
SCHEMBL21037862 0.87
SCHEMBL21037414 0.79
SCHEMBL21036825 0.78 PIN1 (0.32)
SCHEMBL21160420 0.78 PIN1 (0.32)
SCHEMBL21037355 0.78 PIN1 (0.30)
SCHEMBL21036834 0.77
SCHEMBL22314043 0.72 KMT2A (0.37) KDRMAPK3MAPK1MAPK14KMT2A
SCHEMBL21036819 0.71 CYBB (0.54) KDRMAPK3MAPK1MAPK14KMT2A
SCHEMBL3706297 0.67 KDR (0.61) KDRKMT2AL3MBTL1CYBBNOX4

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
EP-3489324-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF East China University of Science and Technology (CN) 2019-05-29 EP disclosed