SCHEMBL17409451

SCHEMBL17409451

Nc1ccc(C#Cc2ccc3nc(NC(=O)Nc4ccc(F)c(Cl)c4)cn3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 1.00
PDGFRB P09619 12/20 1.00
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL17409458 0.94 KDR (1.00) KDRPDGFRB
SCHEMBL17409457 0.79 KDR (1.00) KDRPDGFRB
SCHEMBL17409462 0.78 KDR (1.00) KDRPDGFRB
SCHEMBL17424510 0.73 KDR (0.82) KDRPDGFRB
SCHEMBL17409478 0.73 KDR (1.00) KDRPDGFRB
SCHEMBL5572694 0.72 SLC2A1 (0.73) L3MBTL1
SCHEMBL17409452 0.72 KDR (1.00) KDRPDGFRB
SCHEMBL17424509 0.71 KDR (0.82) KDRPDGFRB
SCHEMBL17409455 0.70 KDR (1.00) KDRPDGFRB
SCHEMBL17424507 0.70 KDR (0.77) 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