SCHEMBL6090495

SCHEMBL6090495

Cn1cc(/C=C2\C(=O)NN=C2C2CC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.45
FCER2 P06734 1/20 0.44
SYK P43405 1/20 0.44
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NTRK1 P04629 1/20 0.38
MAP3K5 Q99683 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
SCHEMBL6090500 1.00 KDR (0.45) KDRFCER2SYKMEN1KMT2A
SCHEMBL6088407 0.82 KMT2A (0.57) KDRSYKMEN1KMT2AITGA4
SCHEMBL6090976 0.79 KDR (0.47) KDRFCER2SYKMEN1KMT2A
SCHEMBL6090973 0.79 KDR (0.47) KDRFCER2SYKMEN1KMT2A
SCHEMBL6089894 0.77 KDR (0.62) KDRFCER2SYKMEN1KMT2A
SCHEMBL6090746 0.76 KDR (0.72) KDR
SCHEMBL6090763 0.76 KDR (0.72) KDR
SCHEMBL7490866 0.75 DYRK1A (0.40) KDRMEN1KMT2A
SCHEMBL6088768 0.73 KDR (0.40) KDRSYKMEN1KMT2AITGA4
SCHEMBL6091656 0.72 KDR (0.51) KDRSYKMEN1KMT2AITGA4

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
US-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed