SCHEMBL6090600

SCHEMBL6090600

CCOC(=O)c1c(C)[nH]c(/C=C2/C(=O)NN=C2c2cnccn2)c1C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.61
CHEK1 O14757 1/20 0.61
ABL1 P00519 1/20 0.52
RET P07949 1/20 0.52
PDGFRB P09619 1/20 0.52
FGFR1 P11362 1/20 0.52
FLT3 P36888 1/20 0.52
ALK Q9UM73 1/20 0.52
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.39
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
CSF1R P07333 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL6090612 1.00 KDR (0.61) KDRCHEK1ABL1RETPDGFRB
SCHEMBL6089745 0.89 KDR (0.59) KDRCHEK1ABL1RETPDGFRB
SCHEMBL6090319 0.87 KDR (0.62) KDRCHEK1FLT3ALK
SCHEMBL6090337 0.87 KDR (0.62) KDRCHEK1FLT3ALK
SCHEMBL6089179 0.84 KDR (0.69) KDRCHEK1ABL1RETPDGFRB
SCHEMBL6089200 0.84 KDR (0.69) KDRCHEK1ABL1RETPDGFRB
SCHEMBL6089874 0.84 KDR (0.58) KDRCHEK1ABL1RETPDGFRB
SCHEMBL6089385 0.84 ALK (0.56) KDRCHEK1ABL1RETPDGFRB
SCHEMBL6089380 0.84 ALK (0.56) KDRCHEK1ABL1RETPDGFRB
SCHEMBL6089886 0.84 KDR (0.58) KDRCHEK1ABL1RETPDGFRB

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