SCHEMBL17409477

SCHEMBL17409477

O=C(Nc1cccc(C#Cc2ccc3nccn3n2)c1)c1ccc(F)c(Cl)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 15/20 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
SCHEMBL17409474 0.86 KDR (1.00) KDRPDGFRB
SCHEMBL17409454 0.84 KDR (1.00) KDRPDGFRB
SCHEMBL17409485 0.84 KDR (1.00) KDRPDGFRB
SCHEMBL17409487 0.84 KDR (1.00) KDRPDGFRB
SCHEMBL17409459 0.83 KDR (1.00) KDRPDGFRB
SCHEMBL17409457 0.81 KDR (1.00) KDRPDGFRB
SCHEMBL17409473 0.79 KDR (1.00) KDRPDGFRB
SCHEMBL17409488 0.76 KDR (1.00) KDRPDGFRB
SCHEMBL16782023 0.73 KDR (0.67) KDRPDGFRB
SCHEMBL16793343 0.72 KDR (0.66) 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 4 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
US-9233968-B1 Kinase inhibitors ALLERGAN, INC. (US) 2016-01-12 US disclosed