SCHEMBL17409484

SCHEMBL17409484

O=C(Nc1ccc(C#Cc2ccc3nccn3n2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 1.00
PDGFRB P09619 14/20 1.00

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
SCHEMBL17409457 0.86 KDR (1.00) KDRPDGFRB
SCHEMBL17409464 0.84 KDR (1.00) KDRPDGFRB
SCHEMBL17409486 0.81 KDR (1.00) KDRPDGFRB
SCHEMBL17409480 0.80 KDR (1.00) KDRPDGFRB
SCHEMBL17409482 0.80 KDR (1.00) KDRPDGFRB
SCHEMBL17409493 0.79 KDR (1.00) KDRPDGFRB
SCHEMBL17409470 0.76 KDR (1.00) KDRPDGFRB
SCHEMBL17409494 0.75 KDR (0.76) KDRPDGFRB
SCHEMBL118026 0.72 KDR (1.00) KDR
SCHEMBL29364392 0.72 KDR (1.00) KDR

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 claimed
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