SCHEMBL6172546

SCHEMBL6172546

CNc1ccc2c(CC3(C)NC(=O)N(c4ccc(S(=O)(=O)C(F)(F)F)cc4)C3=O)ccnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.49
AR P10275 6/20 0.37
KMT2A Q03164 2/20 0.34
CYP2C9 P11712 2/20 0.33
TP53 P04637 2/20 0.33
THRB P10828 2/20 0.32
ITGAL P20701 1/20 0.32
NAMPT P43490 1/20 0.31
BRAF P15056 1/20 0.31
TNNI3K Q59H18 1/20 0.31
MAPT P10636 1/20 0.31
PIP4K2A P48426 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
PGR P06401 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 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
SCHEMBL6174186 0.89 IGF1R (0.51) IGF1RARKMT2ACYP2C9TP53
SCHEMBL6171503 0.86 IGF1R (0.65) IGF1RARKMT2ATP53ITGAL
SCHEMBL6175292 0.86 IGF1R (0.65) IGF1RARKMT2ATP53ITGAL
SCHEMBL6250335 0.83 IGF1R (0.51) IGF1RARKMT2ACYP2C9TP53
SCHEMBL6173279 0.82 IGF1R (0.50) IGF1RARKMT2ACYP2C9TP53
SCHEMBL6173786 0.82 IGF1R (0.50) IGF1RARCYP2C9THRBMAPT
Trifluoroacetic Acid SCHEMBL17558459 0.82 IGF1R (0.60) IGF1RARKMT2AITGALNAMPT
Trifluoroacetic Acid SCHEMBL17558350 0.82 IGF1R (0.60) IGF1RARKMT2AITGALNAMPT
SCHEMBL2942601 0.81 IGF1R (0.75) IGF1R
SCHEMBL6174899 0.79 IGF1R (0.45) IGF1RSMN1; 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