SCHEMBL6173929

SCHEMBL6173929

CCN(CC)C(c1ccnc(N2CCN(C)CC2)c1)C1(C)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.36
HRH4 Q9H3N8 5/20 0.33
AR P10275 1/20 0.33
ABL1 P00519 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.31
METAP2 P50579 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
NMT1 P30419 1/20 0.31
CHRM1 P11229 2/20 0.31
DRD2 P14416 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
SCHEMBL2939198 0.82 IGF1R (0.43) IGF1RHRH4LMNAMAPK1HTT
SCHEMBL2932711 0.78 IGF1R (0.34) IGF1RHRH4HRH3LMNAMAPK1
SCHEMBL2934727 0.77 IGF1R (0.43) IGF1RHRH4LMNAMAPK1HTT
SCHEMBL6174181 0.75 CA12 (0.35) IGF1RLMNAMAPK1HTTSMN1; SMN2
SCHEMBL6259895 0.74 LMNA (0.42) IGF1RHRH4ARLMNAMAPK1
SCHEMBL6173915 0.72 IGF1R (0.41) IGF1RHRH4HRH3LMNAMAPK1
SCHEMBL6173312 0.70 IGF1R (0.34) IGF1RHRH4ARKMT2A
SCHEMBL6174088 0.69 IGF1R (0.42) IGF1R
SCHEMBL6172122 0.69 ABL1 (0.46) HRH4ABL1
SCHEMBL6175237 0.68 CCR6 (0.43) ARABL1

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