SCHEMBL6174623

SCHEMBL6174623

CC(c1ccnc2ccc(N(C)C)cc12)C1(C(C)c2ccnc3ccc(N(C)C)cc23)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.42
AR P10275 2/20 0.34
ALDH3A1 P30838 1/20 0.33
IP6K1 Q92551 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
KMT2A Q03164 2/20 0.32
HRH4 Q9H3N8 1/20 0.31
ACVR1 Q04771 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
TP53 P04637 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
PGR P06401 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 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
SCHEMBL6172572 0.93 IGF1R (0.41) IGF1RARALDH3A1JAK2JAK1
SCHEMBL6171792 0.89 IGF1R (0.44) IGF1RARKMT2ATP53MEN1
SCHEMBL6174619 0.88 IGF1R (0.43) IGF1RARKMT2ATP53MEN1
SCHEMBL6173145 0.88 IGF1R (0.43) IGF1RARKMT2AHRH4TP53
SCHEMBL6174593 0.86 IGF1R (0.42) IGF1RARKMT2AMEN1LMNA
SCHEMBL6172835 0.86 IGF1R (0.42) IGF1RARKMT2APTGS1PTGS2
SCHEMBL6172720 0.85 IGF1R (0.41) IGF1RARIP6K1SMN1; SMN2
SCHEMBL6175539 0.85 TRPV1 (0.34) ARIP6K1ACVR1CYP3A4CYP2C9
SCHEMBL6176113 0.83 IGF1R (0.42) IGF1RARKMT2AHRH4TP53
SCHEMBL6177488 0.81 IGF1R (0.42) IGF1RARKMT2APTGS2TP53

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