SCHEMBL6091050

SCHEMBL6091050

CN(C)Cc1c(C=C2C(=O)NN=C2c2ccncn2)[nH]c2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.43
KDR P35968 7/20 0.39
CHEK1 O14757 1/20 0.39
PDGFRB P09619 5/20 0.38
FGFR1 P11362 5/20 0.38
LCK P06239 2/20 0.38
FYN P06241 2/20 0.38
YES1 P07947 2/20 0.38

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
SCHEMBL6091045 1.00 SRC (0.43) SRCKDRCHEK1PDGFRBFGFR1
SCHEMBL6091510 0.91 KDR (0.43) SRCKDRCHEK1PDGFRBFGFR1
SCHEMBL6091515 0.91 KDR (0.43) SRCKDRCHEK1PDGFRBFGFR1
SCHEMBL6088824 0.86 KDR (0.55) SRCKDRCHEK1PDGFRBFGFR1
SCHEMBL6089461 0.86 KDR (0.55) SRCKDRCHEK1PDGFRBFGFR1
SCHEMBL6092763 0.85 SRC (0.41) SRCKDRCHEK1PDGFRBFGFR1
SCHEMBL6092767 0.85 SRC (0.41) SRCKDRCHEK1PDGFRBFGFR1
SCHEMBL6090406 0.84 SRC (0.46) SRCKDRCHEK1PDGFRBFGFR1
SCHEMBL6090400 0.84 SRC (0.46) SRCKDRCHEK1PDGFRBFGFR1
SCHEMBL6089492 0.84 SRC (0.41) SRCKDRCHEK1PDGFRBFGFR1

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