SCHEMBL6092978

SCHEMBL6092978

Cc1[nH]c(/C=C2/C(=O)NN=C2c2cncnc2)c(C2CC2)c1CCCCNC1CCC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.36
CHEK1 O14757 2/20 0.36
HRH4 Q9H3N8 6/20 0.33
HRH3 Q9Y5N1 6/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6092995 1.00 KDR (0.36) KDRCHEK1HRH4HRH3LMNA
SCHEMBL6088715 0.89 KDR (0.35) KDRCHEK1HRH4HRH3LMNA
SCHEMBL6088724 0.89 KDR (0.35) KDRCHEK1HRH4HRH3LMNA
SCHEMBL6092342 0.86 KDR (0.53) KDRCHEK1HRH4HRH3LMNA
SCHEMBL6092356 0.86 KDR (0.53) KDRCHEK1HRH4HRH3LMNA
SCHEMBL6089412 0.86 KDR (0.37) KDRCHEK1LMNASMN1; SMN2
SCHEMBL6089392 0.86 KDR (0.37) KDRCHEK1LMNASMN1; SMN2
SCHEMBL6090444 0.85 KDR (0.39) KDRCHEK1LMNASMN1; SMN2
SCHEMBL6090440 0.85 KDR (0.39) KDRCHEK1LMNASMN1; SMN2
SCHEMBL6100707 0.84 CHEK1 (0.36) CHEK1HRH4HRH3LMNASMN1; SMN2

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