SCHEMBL6173482

SCHEMBL6173482

CC1(Cc2ccnc(C3CCCCC3)c2)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.39
AR P10275 4/20 0.37
ITGAL P20701 1/20 0.35
HRH4 Q9H3N8 2/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
CHRNA7 P36544 1/20 0.31
TLR8 Q9NR97 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
SCHEMBL6173575 0.83 IGF1R (0.44) IGF1RARITGALLMNASMN1; SMN2
SCHEMBL6174369 0.81 IGF1R (0.45) IGF1RARITGALSMN1; SMN2KMT2A
SCHEMBL6175004 0.81 IGF1R (0.42) IGF1RARITGALLMNASMN1; SMN2
SCHEMBL6174483 0.81 IGF1R (0.42) IGF1RARITGALLMNASMN1; SMN2
SCHEMBL2942754 0.81 IGF1R (0.57) IGF1R
SCHEMBL6177747 0.81 IGF1R (0.40) IGF1RARITGALLMNAHTT
SCHEMBL6175141 0.80 IGF1R (0.47) IGF1RARITGALKMT2A
SCHEMBL6172234 0.80 IGF1R (0.47) IGF1RARITGALLMNASMN1; SMN2
SCHEMBL6172121 0.80 AR (0.44) IGF1RARITGALLMNAMAPK1
SCHEMBL6178355 0.80 AR (0.44) IGF1RARITGALLMNAMAPK1

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