SCHEMBL6091515

SCHEMBL6091515

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.43
CHEK1 O14757 1/20 0.43
SRC P12931 18/20 0.39
FGFR1 P11362 6/20 0.36
PDGFRB P09619 5/20 0.36
FYN P06241 3/20 0.35
YES1 P07947 3/20 0.35
LCK P06239 2/20 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
SCHEMBL6091510 1.00 KDR (0.43) KDRCHEK1SRCFGFR1PDGFRB
SCHEMBL6091045 0.91 SRC (0.43) KDRCHEK1SRCFGFR1PDGFRB
SCHEMBL6091050 0.91 SRC (0.43) KDRCHEK1SRCFGFR1PDGFRB
SCHEMBL6091948 0.87 KDR (0.58) KDRCHEK1SRCFGFR1PDGFRB
SCHEMBL6091011 0.85 SRC (0.41) KDRCHEK1SRCFGFR1PDGFRB
SCHEMBL6091017 0.85 SRC (0.41) KDRCHEK1SRCFGFR1PDGFRB
SCHEMBL6090710 0.84 SRC (0.41) KDRCHEK1SRCFGFR1PDGFRB
SCHEMBL6090717 0.84 SRC (0.41) KDRCHEK1SRCFGFR1PDGFRB
SCHEMBL6088368 0.84 KDR (0.40) KDRCHEK1SRCFGFR1PDGFRB
SCHEMBL6088359 0.84 KDR (0.40) KDRCHEK1SRCFGFR1PDGFRB

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