SCHEMBL17558367

SCHEMBL17558367

O=C1C[N+](Cc2ccncc2Cc2csc3ccccc23)(OC(=O)C(F)(F)F)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.34
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL17558348 0.88 TACR1 (0.30)
SCHEMBL17558364 0.87 IGF1R (0.40) IGF1R
SCHEMBL17558355 0.81 IGF1R (0.35) IGF1R
SCHEMBL3726823 0.80 IGF1R (0.51) IGF1R
SCHEMBL3723549 0.74 IGF1R (0.36) IGF1RPTGS1PTGS2
SCHEMBL17558351 0.72 IGF1R (0.42) IGF1R
SCHEMBL3730826 0.72 IGF1R (0.46) IGF1R
SCHEMBL17558420 0.67 IGF1R (0.37) IGF1R
Trifluoroacetic Acid SCHEMBL17558366 0.66 IGF1R (0.38) IGF1RPTGS2
Trifluoroacetic Acid SCHEMBL3723547 0.65 IGF1R (0.46) IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3188729-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS Genzyme Corporation (US) 2017-07-12 EP disclosed
WO-2016036796-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS GENZYME CORPORATION (US) 2016-03-10 WO disclosed