SCHEMBL6171644

SCHEMBL6171644

CC(c1c(N2CCCCC2)cnc2ccccc12)C1(C(C)c2c(N3CCCCC3)cnc3ccccc23)NC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.33
PDE2A O00408 3/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NTRK1 P04629 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
AR P10275 1/20 0.32
GRM5 P41594 2/20 0.31
MTOR P42345 1/20 0.30

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
SCHEMBL6174520 0.85 IGF1R (0.38) IGF1RNTRK1AR
SCHEMBL6174509 0.84 IGF1R (0.39) IGF1RNTRK1AR
SCHEMBL6174100 0.83 IGF1R (0.36) IGF1RNTRK1AR
SCHEMBL6174684 0.83 P2RX3 (0.35) IGF1RAR
SCHEMBL6172238 0.80 KDM4E (0.39) IGF1RPDE2ANPC1RAB9ATRPV4
SCHEMBL6171343 0.80 IGF1R (0.36) IGF1RPDE2ANPC1RAB9A
SCHEMBL6172470 0.80 IGF1R (0.36) IGF1RPDE2ANPC1RAB9ANTRK1
SCHEMBL6173598 0.76 IGF1R (0.39) IGF1RPDE2ANPC1RAB9A
SCHEMBL6176024 0.75 IGF1R (0.41) IGF1RPDE2ANPC1RAB9A
SCHEMBL2940151 0.74 IGF1R (0.52) IGF1R

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