SCHEMBL6172276

SCHEMBL6172276

COc1cccc2c(C(C)C3(C(C)c4ccnc5c(OC)cccc45)NC(=O)N(c4ccc(S(=O)(=O)C(F)(F)F)cc4)C3=O)ccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.41
MAPT P10636 1/20 0.34
SLC40A1 Q9NP59 1/20 0.33
AR P10275 1/20 0.33
HTR1A P08908 2/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 2/20 0.32
THRB P10828 1/20 0.32
TRPV3 Q8NET8 1/20 0.31
TSHR P16473 1/20 0.31
TNF P01375 2/20 0.31
LITAF Q99732 2/20 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
SCHEMBL6175187 0.90 IGF1R (0.42) IGF1RMAPTARTP53KMT2A
SCHEMBL6171628 0.90 IGF1R (0.42) IGF1RMAPTARTP53KMT2A
SCHEMBL6171829 0.89 IGF1R (0.42) IGF1RMAPTARCYP2C9TP53
SCHEMBL6172723 0.87 IGF1R (0.41) IGF1RSLC40A1ARTP53KMT2A
SCHEMBL6172616 0.87 IGF1R (0.41) IGF1RMAPTSLC40A1ARTP53
SCHEMBL6173607 0.87 IGF1R (0.42) IGF1RMAPTARGAAALDH1A1
SCHEMBL6175936 0.86 GPR139 (0.40) HTR1AADRA1DADRA1AADRA1BGAA
SCHEMBL6174593 0.82 IGF1R (0.42) IGF1RMAPTARGAAALDH1A1
SCHEMBL6171792 0.81 IGF1R (0.44) IGF1RARALDH1A1CYP3A4CYP2C9
SCHEMBL6176113 0.81 IGF1R (0.42) IGF1RARALDH1A1CYP3A4CYP2C9

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