SCHEMBL6089492

SCHEMBL6089492

O=C1NN=C(c2ccncn2)/C1=C\c1[nH]c2c(c1CN1CCCCC1)CCCC2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.41
KDR P35968 15/20 0.41
FGFR1 P11362 12/20 0.41
LCK P06239 9/20 0.41
FYN P06241 9/20 0.41
YES1 P07947 9/20 0.41
PDGFRB P09619 11/20 0.36
CHEK1 O14757 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL6089498 1.00 SRC (0.41) SRCKDRFGFR1LCKFYN
SCHEMBL6092763 0.99 SRC (0.41) SRCKDRFGFR1LCKFYN
SCHEMBL6092767 0.99 SRC (0.41) SRCKDRFGFR1LCKFYN
SCHEMBL6089587 0.92 SRC (0.42) SRCKDRFGFR1LCKFYN
SCHEMBL6089595 0.92 SRC (0.42) SRCKDRFGFR1LCKFYN
SCHEMBL6089156 0.92 SRC (0.49) SRCKDRFGFR1LCKFYN
SCHEMBL6089168 0.92 SRC (0.49) SRCKDRFGFR1LCKFYN
SCHEMBL6088556 0.87 KDR (0.51) SRCKDRFGFR1LCKFYN
SCHEMBL6090848 0.86 KDR (0.52) SRCKDRFGFR1LCKFYN
SCHEMBL6088280 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