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Sugi Predict / Compounds / SCHEMBL17409452

SCHEMBL17409452

SCHEMBL17409452

Nc1cn2nc(C#Cc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)ccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 19/20 1.00
▸ PDGFRB P09619 8/20 1.00
▸ EIF2AK2 P19525 1/20 0.49
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ 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
SCHEMBL17409462 0.90 KDR (1.00) KDRPDGFRBEIF2AK2CA12CA1
SCHEMBL17424507 0.87 KDR (0.77) KDRPDGFRB
SCHEMBL17409480 0.84 KDR (1.00) KDRPDGFRBEIF2AK2
SCHEMBL17409455 0.77 KDR (1.00) KDRPDGFRB
SCHEMBL17409475 0.76 KDR (1.00) KDRPDGFRB
SCHEMBL4718055 0.76 KDR (0.61) KDRPDGFRBCA12CA1CA2
SCHEMBL17409490 0.75 KDR (1.00) KDRPDGFRB
SCHEMBL16008286 0.74 CA12 (0.63) KDRPDGFRBEIF2AK2CA12CA1
SCHEMBL17409458 0.73 KDR (1.00) KDRPDGFRB
SCHEMBL17409451 0.72 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