SCHEMBL6173750

SCHEMBL6173750

Cc1cnccc1C(C)C1(C(C)c2ccncc2C)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.36
IGF1R P08069 2/20 0.36
AR P10275 3/20 0.35
THRB P10828 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PTGS2 P35354 2/20 0.33
NAMPT P43490 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 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
SCHEMBL6176692 0.90 KMT2A (0.36) KMT2ATP53IGF1RARTHRB
SCHEMBL6173546 0.89 KMT2A (0.36) KMT2ATP53IGF1RARTHRB
SCHEMBL6174716 0.89 KMT2A (0.36) KMT2ATP53IGF1RARTHRB
SCHEMBL6172022 0.87 KMT2A (0.36) KMT2ATP53IGF1RARTHRB
SCHEMBL6172519 0.87 IGF1R (0.38) KMT2ATP53IGF1RARCYP3A4
SCHEMBL6177145 0.87 IGF1R (0.40) KMT2ATP53IGF1RARCYP3A4
SCHEMBL6170701 0.86 IGF1R (0.37) KMT2ATP53IGF1RARCYP3A4
SCHEMBL6177902 0.86 CYP2C9 (0.35) KMT2ATP53IGF1RARTHRB
SCHEMBL6174133 0.85 TP53 (0.39) KMT2ATP53IGF1RARALDH1A1
SCHEMBL6171082 0.85 ALDH1A1 (0.35) KMT2ATP53IGF1RARCYP3A4

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 4 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 claimed
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 claimed
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