SCHEMBL6089301

SCHEMBL6089301

CN1CCN(Cc2c(/C=C3/C(=O)NN=C3c3cccs3)[nH]c3c2CCCC3)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 0.44
KDR P35968 13/20 0.44
LCK P06239 10/20 0.44
FYN P06241 10/20 0.44
YES1 P07947 10/20 0.44
FGFR1 P11362 10/20 0.44
PDGFRB P09619 9/20 0.43
ALK Q9UM73 1/20 0.39

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
SCHEMBL6089309 1.00 SRC (0.44) SRCKDRLCKFYNYES1
SCHEMBL6089940 0.94 SRC (0.42) SRCKDRLCKFYNYES1
SCHEMBL6089946 0.94 SRC (0.42) SRCKDRLCKFYNYES1
SCHEMBL6088090 0.93 SRC (0.42) SRCKDRLCKFYNYES1
SCHEMBL6088093 0.93 SRC (0.42) SRCKDRLCKFYNYES1
SCHEMBL6092474 0.91 SRC (0.51) SRCKDRLCKFYNYES1
SCHEMBL6092469 0.91 SRC (0.51) SRCKDRLCKFYNYES1
SCHEMBL6090150 0.85 SRC (0.43) SRCKDRLCKFYNYES1
SCHEMBL6090137 0.85 SRC (0.43) SRCKDRLCKFYNYES1
SCHEMBL6092229 0.84 SRC (0.46) SRCKDRLCKFYNYES1

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