SCHEMBL6176192

SCHEMBL6176192

COc1cccc2nccc(C(C)C3NC(=O)N(c4ccc(SC(F)(F)F)cc4)C3=O)c12

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
LMNA P02545 1/20 0.35
IGF1R P08069 10/20 0.34
ELANE P08246 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6176324 0.89 IGF1R (0.35) LMNAIGF1RSMN1; SMN2
SCHEMBL6175291 0.88 IGF1R (0.36) LMNAIGF1RSMN1; SMN2
SCHEMBL6174021 0.88 IGF1R (0.36) LMNAIGF1RSMN1; SMN2
SCHEMBL6171781 0.86 P2RX3 (0.36) P2RX3HCRTR1HCRTR2LMNAIGF1R
SCHEMBL6175392 0.86 IGF1R (0.36) LMNAIGF1RSMN1; SMN2
SCHEMBL6172540 0.86 IGF1R (0.36) LMNAIGF1RSMN1; SMN2
SCHEMBL6169084 0.85 IGF1R (0.44) LMNAIGF1RELANE
SCHEMBL6173494 0.83 IGF1R (0.33) LMNAIGF1R
SCHEMBL6172293 0.81 IGF1R (0.40) LMNAIGF1RSMN1; SMN2
SCHEMBL6173610 0.80 IGF1R (0.37) LMNAIGF1RSMN1; SMN2

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-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed