SCHEMBL6091462

SCHEMBL6091462

Cc1[nH]c(C=C2C(=O)NN=C2c2cnccn2)c(C(F)(F)F)c1CCC(=O)n1ccnc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.53
CHEK1 O14757 2/20 0.53

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
SCHEMBL6091712 0.93 KDR (0.54) KDRCHEK1
SCHEMBL6089575 0.89 KDR (0.56) KDRCHEK1
SCHEMBL6090569 0.88 KDR (0.57) KDRCHEK1
SCHEMBL6089909 0.86 KDR (0.53) KDRCHEK1
SCHEMBL6090455 0.85 KDR (0.53) KDRCHEK1
SCHEMBL6091764 0.85 KDR (0.53) KDRCHEK1
SCHEMBL6089437 0.84 KDR (0.50) KDRCHEK1
SCHEMBL6091110 0.84 KDR (0.51) KDRCHEK1
SCHEMBL6088831 0.84 KDR (0.51) KDRCHEK1
SCHEMBL6088810 0.84 KDR (0.51) KDRCHEK1

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