SCHEMBL6092071

SCHEMBL6092071

Cc1[nH]c(/C=C2/C(=O)NN=C2c2nccnn2)c(C2CC2)c1CCCCNC1CCC1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.37
CHEK1 O14757 2/20 0.37
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6092081 1.00 KDR (0.37) KDRCHEK1LMNASMN1; SMN2
SCHEMBL6089392 0.93 KDR (0.37) KDRCHEK1LMNASMN1; SMN2
SCHEMBL6089412 0.93 KDR (0.37) KDRCHEK1LMNASMN1; SMN2
SCHEMBL6092356 0.86 KDR (0.53) KDRCHEK1LMNASMN1; SMN2
SCHEMBL6088419 0.86 KDR (0.36) KDRCHEK1LMNASMN1; SMN2
SCHEMBL6092342 0.86 KDR (0.53) KDRCHEK1LMNASMN1; SMN2
SCHEMBL6088415 0.86 KDR (0.36) KDRCHEK1LMNASMN1; SMN2
SCHEMBL6090114 0.85 KDR (0.37) KDRCHEK1
SCHEMBL6090101 0.85 KDR (0.37) KDRCHEK1
SCHEMBL6090444 0.84 KDR (0.39) KDRCHEK1LMNASMN1; 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