SCHEMBL6091017

SCHEMBL6091017

CCN(CC)Cc1c(C=C2C(=O)NN=C2c2cccnn2)[nH]c2c1CCCC2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 0.41
KDR P35968 9/20 0.40
CHEK1 O14757 1/20 0.40
PDGFRB P09619 6/20 0.38
FGFR1 P11362 6/20 0.38
FYN P06241 2/20 0.36
YES1 P07947 2/20 0.36
LCK P06239 1/20 0.36

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
SCHEMBL6091011 1.00 SRC (0.41) SRCKDRCHEK1PDGFRBFGFR1
SCHEMBL6090400 0.91 SRC (0.46) SRCKDRCHEK1PDGFRBFGFR1
SCHEMBL6090406 0.91 SRC (0.46) SRCKDRCHEK1PDGFRBFGFR1
SCHEMBL6090710 0.85 SRC (0.41) SRCKDRCHEK1PDGFRBFGFR1
SCHEMBL6090717 0.85 SRC (0.41) SRCKDRCHEK1PDGFRBFGFR1
SCHEMBL6090541 0.85 KDR (0.41) SRCKDRCHEK1PDGFRBFGFR1
SCHEMBL6091510 0.85 KDR (0.43) SRCKDRCHEK1PDGFRBFGFR1
SCHEMBL6090538 0.85 KDR (0.41) SRCKDRCHEK1PDGFRBFGFR1
SCHEMBL6091515 0.85 KDR (0.43) SRCKDRCHEK1PDGFRBFGFR1
SCHEMBL6091948 0.84 KDR (0.58) 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