SCHEMBL17409461

SCHEMBL17409461

Cc1ccc(F)c(C(=O)Nc2ccc(C#Cc3ccc4nccn4n3)cc2)c1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.82
PDGFRB P09619 13/20 0.82
GRM5 P41594 2/20 0.49

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
SCHEMBL17409459 0.90 KDR (1.00) KDRPDGFRB
SCHEMBL17409494 0.87 KDR (0.76) KDRPDGFRBGRM5
SCHEMBL17409470 0.86 KDR (1.00) KDRPDGFRB
SCHEMBL17409475 0.83 KDR (1.00) KDRPDGFRBGRM5
SCHEMBL17409482 0.83 KDR (1.00) KDRPDGFRB
SCHEMBL17409493 0.80 KDR (1.00) KDRPDGFRB
SCHEMBL17409457 0.79 KDR (1.00) KDRPDGFRB
SCHEMBL17409450 0.78 KDR (0.68) KDRPDGFRB
SCHEMBL17409473 0.76 KDR (1.00) KDRPDGFRB
SCHEMBL17409485 0.76 KDR (1.00) KDRPDGFRB

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 2 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