SCHEMBL6172113

SCHEMBL6172113

CC1(Cc2ccncc2-c2cccc(Cl)c2)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.40
ITGAL P20701 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AR P10275 3/20 0.35
PTGS2 P35354 2/20 0.35
MAPT P10636 2/20 0.33
THRB P10828 1/20 0.33
PTGS1 P23219 1/20 0.33
NAMPT P43490 2/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
METAP2 P50579 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL6171779 0.90 IGF1R (0.40) IGF1RITGALARMAPTTHRB
SCHEMBL6175293 0.90 IGF1R (0.45) IGF1RALDH1A1KDM4ESMN1; SMN2AR
SCHEMBL6173726 0.86 IGF1R (0.42) IGF1RITGALALDH1A1KDM4ESMN1; SMN2
SCHEMBL6170776 0.86 DGAT2 (0.38) ITGALALDH1A1KDM4ESMN1; SMN2AR
SCHEMBL6169737 0.86 IGF1R (0.43) IGF1RITGALALDH1A1ARPTGS2
SCHEMBL6172334 0.85 IGF1R (0.40) IGF1RALDH1A1ARPTGS2PTGS1
SCHEMBL6171403 0.84 IGF1R (0.43) IGF1RITGALALDH1A1ARMAPT
SCHEMBL6175003 0.83 CYP3A4 (0.43) IGF1RALDH1A1ARPTGS2MAPT
SCHEMBL6171903 0.82 IGF1R (0.45) IGF1RALDH1A1ARPTGS2PTGS1
SCHEMBL6172432 0.82 ALDH1A1 (0.38) IGF1RALDH1A1SMN1; SMN2MAPTNAMPT

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