SCHEMBL6173085

SCHEMBL6173085

CN(C)c1cc(CC2(C)NC(=O)N(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2=O)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.47
AR P10275 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ADAM17 P78536 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ITGAL P20701 1/20 0.32
TSHR P16473 2/20 0.31
KDM4E B2RXH2 2/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
PKM P14618 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL6174258 0.88 IGF1R (0.49) IGF1RARSMN1; SMN2ADAM17KMT2A
SCHEMBL6173697 0.85 ACP1 (0.42) IGF1RARADAM17
SCHEMBL6172524 0.83 IGF1R (0.45) IGF1RARSMN1; SMN2ADAM17KDM4E
SCHEMBL6175292 0.83 IGF1R (0.65) IGF1RARSMN1; SMN2KMT2AITGAL
SCHEMBL6171503 0.83 IGF1R (0.65) IGF1RARSMN1; SMN2KMT2AITGAL
Trifluoroacetic Acid SCHEMBL17558459 0.81 IGF1R (0.60) IGF1RARSMN1; SMN2KMT2AITGAL
SCHEMBL2934072 0.81 IGF1R (0.70) IGF1RAR
Trifluoroacetic Acid SCHEMBL17558350 0.81 IGF1R (0.60) IGF1RARSMN1; SMN2KMT2AITGAL
SCHEMBL6173279 0.78 IGF1R (0.50) IGF1RARSMN1; SMN2KMT2ACYP3A4
SCHEMBL2936325 0.78 IGF1R (0.56) IGF1RARCYP3A4KDM4EGLA

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