SCHEMBL6176113

SCHEMBL6176113

CC(c1ccnc2cc(F)ccc12)C1(C(C)c2ccnc3cc(F)ccc23)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.42
TP53 P04637 2/20 0.37
AR P10275 3/20 0.36
KMT2A Q03164 3/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
PGR P06401 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX12 P18054 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
PDE4D Q08499 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL6171792 0.93 IGF1R (0.44) IGF1RTP53ARKMT2ATSHR
SCHEMBL6172572 0.89 IGF1R (0.41) IGF1RTP53ARKMT2ATSHR
SCHEMBL6173145 0.85 IGF1R (0.43) IGF1RTP53ARKMT2ATSHR
SCHEMBL6174619 0.85 IGF1R (0.43) IGF1RTP53ARKMT2ATSHR
SCHEMBL6172835 0.83 IGF1R (0.42) IGF1RTP53ARKMT2ACYP2C9
SCHEMBL6174593 0.83 IGF1R (0.42) IGF1RARKMT2ALMNAMEN1
SCHEMBL6174623 0.83 IGF1R (0.42) IGF1RTP53ARKMT2ATSHR
SCHEMBL6171628 0.82 IGF1R (0.42) IGF1RTP53ARKMT2ATSHR
SCHEMBL6172276 0.81 IGF1R (0.41) IGF1RTP53ARKMT2ATSHR
SCHEMBL6173625 0.80 IGF1R (0.44) IGF1RTP53ARKMT2ATSHR

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