Sugi Predict

Sugi Predict / Compounds / SCHEMBL6091270

SCHEMBL6091270

SCHEMBL6091270

O=C1NN=C(C2CC2)C1=Cc1cc2c([nH]1)CCCC2=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 13/20 0.40
▸ PDGFRB P09619 9/20 0.38
▸ FGFR1 P11362 5/20 0.38
▸ SRC P12931 5/20 0.38
▸ PKN1 Q16512 1/20 0.37
▸ PKN2 Q16513 1/20 0.37
▸ EGFR P00533 1/20 0.34
▸ RET P07949 1/20 0.33
▸ PARP1 P09874 2/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ PARP2 Q9UGN5 1/20 0.31

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
SCHEMBL6088527 0.83 KDR (0.57) KDRPDGFRBFGFR1SRCEGFR
SCHEMBL6088523 0.83 KDR (0.57) KDRPDGFRBFGFR1SRCEGFR
SCHEMBL6089219 0.77 KDR (0.38) KDRPDGFRBFGFR1SRCEGFR
SCHEMBL6089222 0.77 KDR (0.38) KDRPDGFRBFGFR1SRCEGFR
SCHEMBL6090793 0.77 KDR (0.46) KDRPDGFRBFGFR1SRCPKN1
SCHEMBL6088365 0.76 KDR (0.47) KDRPDGFRBFGFR1SRCPKN1
SCHEMBL6088248 0.76 KDR (0.39) KDRPDGFRBFGFR1SRCPKN1
SCHEMBL6089640 0.76 KDR (0.39) KDRPDGFRBFGFR1SRCPKN1
SCHEMBL6088285 0.74 KDR (0.46) KDRPDGFRBFGFR1SRCPKN1
SCHEMBL6092129 0.74 KDR (0.34) KDR

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