SCHEMBL6091948

SCHEMBL6091948

CCN(CC)Cc1c(/C=C2/C(=O)NN=C2c2cnccn2)[nH]c2c1CCCC2

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.58
CHEK1 O14757 1/20 0.58
SRC P12931 8/20 0.37
PDGFRB P09619 4/20 0.35
FGFR1 P11362 4/20 0.35
FYN P06241 2/20 0.34
YES1 P07947 2/20 0.34
LCK P06239 1/20 0.34

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
SCHEMBL6088824 0.91 KDR (0.55) KDRCHEK1SRCPDGFRBFGFR1
SCHEMBL6089461 0.91 KDR (0.55) KDRCHEK1SRCPDGFRBFGFR1
SCHEMBL6091515 0.87 KDR (0.43) KDRCHEK1SRCPDGFRBFGFR1
SCHEMBL6091510 0.87 KDR (0.43) KDRCHEK1SRCPDGFRBFGFR1
SCHEMBL6090710 0.85 SRC (0.41) KDRCHEK1SRCPDGFRBFGFR1
SCHEMBL6090717 0.85 SRC (0.41) KDRCHEK1SRCPDGFRBFGFR1
SCHEMBL6090538 0.85 KDR (0.41) KDRCHEK1SRCPDGFRBFGFR1
SCHEMBL6090541 0.85 KDR (0.41) KDRCHEK1SRCPDGFRBFGFR1
SCHEMBL6088359 0.84 KDR (0.40) KDRCHEK1SRCPDGFRBFGFR1
SCHEMBL6088368 0.84 KDR (0.40) KDRCHEK1SRCPDGFRBFGFR1

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