SCHEMBL6176994

SCHEMBL6176994

CC1(Cc2cc(N3CCCCC3)nc3ccccc23)NC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
ACHE P22303 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
IGF1R P08069 12/20 0.38
NTRK1 P04629 1/20 0.36
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
ELANE P08246 1/20 0.33

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
SCHEMBL6172524 0.86 IGF1R (0.45) KDM4EGAAACHEL3MBTL1ALDH1A1
SCHEMBL6175753 0.85 IGF1R (0.42) IGF1RNTRK1TRPV4
SCHEMBL6175823 0.85 IGF1R (0.39) IGF1R
SCHEMBL6171604 0.84 IGF1R (0.42) IGF1RNTRK1
SCHEMBL6172631 0.84 IGF1R (0.42) IGF1RNTRK1
SCHEMBL6175012 0.84 IGF1R (0.45) IGF1RNTRK1
SCHEMBL2939764 0.82 IGF1R (0.54) IGF1R
SCHEMBL6172238 0.81 KDM4E (0.39) KDM4EGAAACHEL3MBTL1ALDH1A1
SCHEMBL6174914 0.81 IGF1R (0.40) IGF1RNTRK1
SCHEMBL6173427 0.80 IGF1R (0.45) IGF1RNTRK1

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