SCHEMBL6089182

SCHEMBL6089182

O=C1NN=C(c2ccnnc2)C1=Cc1[nH]c2c(c1CN1CCCC1)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 0.42
KDR P35968 15/20 0.42
FGFR1 P11362 11/20 0.42
LCK P06239 8/20 0.42
FYN P06241 8/20 0.42
YES1 P07947 8/20 0.42
PDGFRB P09619 10/20 0.37
CHEK1 O14757 1/20 0.34
ACHE P22303 1/20 0.34
EGFR P00533 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
SCHEMBL6089175 1.00 SRC (0.42) SRCKDRFGFR1LCKFYN
SCHEMBL6093052 0.99 SRC (0.41) SRCKDRFGFR1LCKFYN
SCHEMBL6093046 0.99 SRC (0.41) SRCKDRFGFR1LCKFYN
SCHEMBL6090525 0.93 KDR (0.51) SRCKDRFGFR1LCKFYN
SCHEMBL6091121 0.93 SRC (0.43) SRCKDRFGFR1LCKFYN
SCHEMBL6090509 0.93 KDR (0.51) SRCKDRFGFR1LCKFYN
SCHEMBL6091112 0.93 SRC (0.43) SRCKDRFGFR1LCKFYN
SCHEMBL6090351 0.89 SRC (0.41) SRCKDRFGFR1LCKFYN
SCHEMBL6090354 0.89 SRC (0.41) SRCKDRFGFR1LCKFYN
SCHEMBL6087795 0.88 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