SCHEMBL17409449

SCHEMBL17409449

Nc1ccc(C#Cc2ccc3nccn3n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.58
PDGFRB P09619 14/20 0.58
APP P05067 1/20 0.42
DYRK1A Q13627 1/20 0.40

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
SCHEMBL17409456 0.83 KDR (0.57) KDRPDGFRB
SCHEMBL17409489 0.76 KDR (0.60) KDRPDGFRBAPP
SCHEMBL17409486 0.74 KDR (1.00) KDRPDGFRB
SCHEMBL17424244 0.74 KDR (0.55) KDRPDGFRBDYRK1A
SCHEMBL17409482 0.73 KDR (1.00) KDRPDGFRB
SCHEMBL22121658 0.72 DYRK1A (0.47) KDRPDGFRBDYRK1A
SCHEMBL1051267 0.69 DYRK1A (0.52) KDRPDGFRBDYRK1A
SCHEMBL2518335 0.68 KDR (0.57) KDRPDGFRBDYRK1A
SCHEMBL9611200 0.65 APP (1.00) APP
SCHEMBL864945 0.65 APP (1.00) APP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233968-B1 Kinase inhibitors ALLERGAN, INC. (US) 2016-01-12 US disclosed
US-9233968-B1 Kinase inhibitors ALLERGAN, INC. (US) 2016-01-12 US disclosed
US-9233968-B1 Kinase inhibitors ALLERGAN, INC. (US) 2016-01-12 US disclosed