SCHEMBL17409490

SCHEMBL17409490

Nc1cn2nc(C#Cc3ccc(NC(=O)c4ccccc4)cc3)ccc2n1

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 14/20 0.65
PLAU P00749 1/20 0.41

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
SCHEMBL17424247 0.89 KDR (0.80) KDRPDGFRB
SCHEMBL17409455 0.79 KDR (1.00) KDRPDGFRB
SCHEMBL17409475 0.79 KDR (1.00) KDRPDGFRB
SCHEMBL17409489 0.76 KDR (0.60) KDRPDGFRB
SCHEMBL17409452 0.75 KDR (1.00) KDRPDGFRB
SCHEMBL17424510 0.74 KDR (0.82) KDRPDGFRB
SCHEMBL17424509 0.71 KDR (0.82) KDRPDGFRB
SCHEMBL17409472 0.71 KDR (1.00) KDRPDGFRB
SCHEMBL17409474 0.69 KDR (1.00) KDRPDGFRB
SCHEMBL17409486 0.69 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 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