SCHEMBL13947534

SCHEMBL13947534

COC(=O)c1cc(Oc2ncc(C)cc2C(F)(F)F)c(F)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 1/20 0.35
▸ PTK2 Q05397 5/20 0.34
▸ SCN9A Q15858 2/20 0.34
▸ KDR P35968 7/20 0.33
▸ BRAF P15056 2/20 0.31
▸ LRRK2 Q5S007 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL13044723 0.91 PTK2 (0.33) PTK2SCN9AKDRBRAFLRRK2
SCHEMBL13946764 0.91 PTK2 (0.34) PTK2SCN9AKDRBRAFLRRK2
SCHEMBL13044791 0.91 PTK2 (0.34) PTK2SCN9AKDRBRAFLRRK2
SCHEMBL13044794 0.91 PTK2 (0.33) PTK2SCN9AKDRBRAFLRRK2
SCHEMBL13044739 0.90 SCN9A (0.34) PTK2SCN9AKDR
SCHEMBL13044756 0.90 SCN9A (0.34) PTK2SCN9AKDR
SCHEMBL13044704 0.89 SCN9A (0.35) PTK2SCN9AKDRBRAF
SCHEMBL13044819 0.89 PTK2 (0.34) PTK2SCN9AKDRLRRK2
SCHEMBL13044742 0.89 SCN9A (0.35) PTK2SCN9AKDRLRRK2
SCHEMBL13044814 0.88 SCN9A (0.33) PTK2SCN9AKDR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009018656-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-12 — — WO disclosed
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