SCHEMBL6091640

SCHEMBL6091640

O=C1NN=C(c2cccs2)C1=Cc1cc2c([nH]1)CCCC2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.69
PDGFRB P09619 9/20 0.53
SRC P12931 7/20 0.53
FGFR1 P11362 6/20 0.53
RET P07949 2/20 0.48
ALK Q9UM73 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
RECQL P46063 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
RGS12 O14924 1/20 0.40
NPC1 O15118 1/20 0.40
GMNN O75496 1/20 0.40
CYP1A2 P05177 1/20 0.40
FYN P06241 1/20 0.40
YES1 P07947 1/20 0.40

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
SCHEMBL6091639 1.00 KDR (0.69) KDRPDGFRBSRCFGFR1RET
SCHEMBL6091305 0.85 KDR (0.50) KDRPDGFRBSRCFGFR1RET
SCHEMBL6091313 0.85 KDR (0.50) KDRPDGFRBSRCFGFR1RET
SCHEMBL6092720 0.80 KDR (0.46) KDRPDGFRBSRCFGFR1RET
SCHEMBL6092715 0.80 KDR (0.46) KDRPDGFRBSRCFGFR1RET
SCHEMBL6092177 0.78 KDR (0.60) KDRPDGFRBSRCFGFR1RET
SCHEMBL6090850 0.78 KDR (0.60) KDRPDGFRBSRCFGFR1RET
SCHEMBL6092180 0.78 KDR (0.60) KDRPDGFRBSRCFGFR1RET
SCHEMBL6090856 0.78 KDR (0.60) KDRPDGFRBSRCFGFR1RET
SCHEMBL6088609 0.77 KDR (0.61) KDRPDGFRBSRCFGFR1RET

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