SCHEMBL6091112

SCHEMBL6091112

CN1CCN(Cc2c(/C=C3/C(=O)NN=C3c3ccnnc3)[nH]c3c2CCCC3)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.43
KDR P35968 13/20 0.43
FGFR1 P11362 10/20 0.43
LCK P06239 9/20 0.43
FYN P06241 9/20 0.43
YES1 P07947 9/20 0.43
PDGFRB P09619 9/20 0.43

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
SCHEMBL6091121 1.00 SRC (0.43) SRCKDRFGFR1LCKFYN
SCHEMBL6089182 0.93 SRC (0.42) SRCKDRFGFR1LCKFYN
SCHEMBL6089175 0.93 SRC (0.42) SRCKDRFGFR1LCKFYN
SCHEMBL6093046 0.92 SRC (0.41) SRCKDRFGFR1LCKFYN
SCHEMBL6093052 0.92 SRC (0.41) SRCKDRFGFR1LCKFYN
SCHEMBL6089751 0.90 SRC (0.42) SRCKDRFGFR1LCKFYN
SCHEMBL6089746 0.90 SRC (0.42) SRCKDRFGFR1LCKFYN
SCHEMBL6090525 0.90 KDR (0.51) SRCKDRFGFR1LCKFYN
SCHEMBL6090509 0.90 KDR (0.51) SRCKDRFGFR1LCKFYN
SCHEMBL6089776 0.88 SRC (0.43) SRCKDRFGFR1LCKFYN

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