SCHEMBL6090793

SCHEMBL6090793

O=C1NN=C(c2ncccn2)C1=Cc1cc2c([nH]1)CCCC2=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.46
PDGFRB P09619 8/20 0.39
FGFR1 P11362 6/20 0.39
SRC P12931 4/20 0.39
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
RET P07949 1/20 0.34
EGFR P00533 1/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
PARP3 Q9Y6F1 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
SCHEMBL6090570 0.83 KDR (0.43) KDRPDGFRBFGFR1SRCPKN1
SCHEMBL6089757 0.82 KDR (0.42) KDRPDGFRBFGFR1SRCPKN1
SCHEMBL6090633 0.82 KDR (0.45) KDRPDGFRBFGFR1SRCPKN1
SCHEMBL6088285 0.81 KDR (0.46) KDRPDGFRBFGFR1SRCPKN1
SCHEMBL6088365 0.81 KDR (0.47) KDRPDGFRBFGFR1SRCPKN1
SCHEMBL6088171 0.81 KDR (0.43) KDRPDGFRBFGFR1SRCPKN1
SCHEMBL6091313 0.81 KDR (0.50) KDRPDGFRBFGFR1SRCPKN1
SCHEMBL6091305 0.81 KDR (0.50) KDRPDGFRBFGFR1SRCPKN1
SCHEMBL6089729 0.81 KDR (0.43) KDRPDGFRBFGFR1SRCPKN1
SCHEMBL6090489 0.78 KDR (0.43) KDRPDGFRBFGFR1SRCPKN1

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