SCHEMBL17409494

SCHEMBL17409494

O=C(Nc1ccc(C#Cc2ccc3nccn3n2)cc1)c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.76
PDGFRB P09619 13/20 0.76
GRM5 P41594 1/20 0.48
LCK P06239 1/20 0.47
TEK Q02763 1/20 0.47

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
SCHEMBL17409461 0.87 KDR (0.82) KDRPDGFRBGRM5
SCHEMBL17409480 0.86 KDR (1.00) KDRPDGFRB
SCHEMBL17409464 0.81 KDR (1.00) KDRPDGFRB
SCHEMBL17409459 0.78 KDR (1.00) KDRPDGFRB
SCHEMBL17409457 0.77 KDR (1.00) KDRPDGFRB
SCHEMBL17409487 0.76 KDR (1.00) KDRPDGFRBLCKTEK
SCHEMBL17409470 0.75 KDR (1.00) KDRPDGFRB
SCHEMBL17409484 0.75 KDR (1.00) KDRPDGFRB
SCHEMBL17409486 0.74 KDR (1.00) KDRPDGFRB
SCHEMBL17409482 0.73 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