SCHEMBL6091412

SCHEMBL6091412

O=C1NN=C(c2ncccn2)/C1=C\c1[nH]c2c(c1CN1CCCC1)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 0.42
KDR P35968 15/20 0.42
FGFR1 P11362 10/20 0.42
LCK P06239 7/20 0.42
FYN P06241 7/20 0.42
YES1 P07947 7/20 0.42
PDGFRB P09619 9/20 0.39
EGFR P00533 1/20 0.35

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
SCHEMBL6091419 1.00 SRC (0.42) SRCKDRFGFR1LCKFYN
SCHEMBL6088885 0.99 SRC (0.41) SRCKDRFGFR1LCKFYN
SCHEMBL6088876 0.99 SRC (0.41) SRCKDRFGFR1LCKFYN
SCHEMBL6092382 0.93 SRC (0.51) SRCKDRFGFR1LCKFYN
SCHEMBL6090150 0.93 SRC (0.43) SRCKDRFGFR1LCKFYN
SCHEMBL6090137 0.93 SRC (0.43) SRCKDRFGFR1LCKFYN
SCHEMBL6092373 0.93 SRC (0.51) SRCKDRFGFR1LCKFYN
SCHEMBL6090741 0.85 SRC (0.41) SRCKDRFGFR1LCKFYN
SCHEMBL6090848 0.85 KDR (0.52) SRCKDRFGFR1LCKFYN
SCHEMBL6090736 0.85 SRC (0.41) 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