SCHEMBL6098247

SCHEMBL6098247

Cc1[nH]c(C=C2C(=O)NN=C2c2cnccn2)c(C)c1CN1CCN(C)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.64
CHEK1 O14757 3/20 0.64
PDGFRB P09619 2/20 0.44
FGFR1 P11362 2/20 0.44
KDM4E B2RXH2 1/20 0.33
ABL1 P00519 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
KIT P10721 1/20 0.33
PHKG2 P15735 1/20 0.33
FLT1 P17948 1/20 0.33
FGFR3 P22607 1/20 0.33
AXL P30530 1/20 0.33
ABL2 P42684 1/20 0.33
PTK2 Q05397 1/20 0.33
KCNH2 Q12809 1/20 0.33
PTK2B Q14289 1/20 0.33
ALK Q9UM73 1/20 0.33

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
SCHEMBL6098230 1.00 KDR (0.64) KDRCHEK1PDGFRBFGFR1KDM4E
SCHEMBL6090387 0.93 KDR (0.66) KDRCHEK1PDGFRBFGFR1P2RX7
SCHEMBL6090377 0.93 KDR (0.66) KDRCHEK1PDGFRBFGFR1P2RX7
SCHEMBL6090301 0.92 KDR (0.65) KDRCHEK1PDGFRBFGFR1
SCHEMBL6090286 0.92 KDR (0.65) KDRCHEK1PDGFRBFGFR1
SCHEMBL6088205 0.90 KDR (0.63) KDRCHEK1PDGFRBFGFR1KDM4E
SCHEMBL6088221 0.90 KDR (0.63) KDRCHEK1PDGFRBFGFR1KDM4E
SCHEMBL6091274 0.89 KDR (0.62) KDRCHEK1PDGFRBFGFR1LCK
SCHEMBL6091287 0.89 KDR (0.62) KDRCHEK1PDGFRBFGFR1LCK
SCHEMBL6090731 0.83 KDR (0.77) KDRCHEK1PDGFRBFGFR1LCK

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