SCHEMBL2934022

SCHEMBL2934022

COc1cccc(C(=O)Nc2cc(CN3C(=O)N(c4ccc(C(F)(F)F)cc4S)C(=O)C3(C)C)ccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 12/20 0.49
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
SCD O00767 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR52 Q9Y2T5 1/20 0.39
SRPK1 Q96SB4 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL2941507 0.93 IGF1R (0.51) IGF1RHDAC1HDAC6MAPTMAPK1
SCHEMBL2942056 0.87 IGF1R (0.53) IGF1R
SCHEMBL2934018 0.83 IGF1R (0.72) IGF1RNPC1TP53RAB9ASMN1; SMN2
SCHEMBL2943419 0.83 IGF1R (0.55) IGF1R
SCHEMBL2940677 0.83 IGF1R (0.55) IGF1R
SCHEMBL2992288 0.83 IGF1R (0.49) IGF1RHDAC1HDAC6MAPTTP53
SCHEMBL2941761 0.82 IGF1R (0.55) IGF1R
SCHEMBL2990255 0.82 IGF1R (0.54) IGF1RNPC1RAB9A
Trifluoroacetic Acid SCHEMBL2936478 0.81 IGF1R (0.68) IGF1R
SCHEMBL19410407 0.81 IGF1R (0.45) IGF1RCYP1A2CYP2D6CYP2C19HDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599464-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP disclosed