SCHEMBL17558394

SCHEMBL17558394

CC(c1ccnc(Cl)c1)C1(C(C)c2ccnc(Cl)c2)NC(=O)N(c2ccc(SC(F)(F)F)c(Cl)c2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.41
IGF1R P08069 5/20 0.39
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
PGR P06401 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
PDE4D Q08499 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTGS2 P35354 1/20 0.32

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
SCHEMBL6177138 0.91 AR (0.40) ARIGF1RMEN1KMT2ALMNA
SCHEMBL6174954 0.89 IGF1R (0.40) ARIGF1RMEN1KMT2ALMNA
SCHEMBL6173683 0.87 IGF1R (0.52) ARIGF1R
SCHEMBL6172298 0.87 IGF1R (0.42) ARIGF1RMEN1KMT2ATSHR
SCHEMBL6173106 0.82 IGF1R (0.48) ARIGF1RKMT2ACYP3A4CYP2C9
SCHEMBL6173212 0.80 ADRB3 (0.40) ARIGF1RCYP3A4CYP2C9CYP2C19
SCHEMBL6201343 0.79 PTGS2 (0.40) ARIGF1RMEN1KMT2ALMNA
SCHEMBL2932588 0.77 AR (0.67) ARIGF1RMEN1KMT2ALMNA
SCHEMBL6172820 0.77 IGF1R (0.42) ARIGF1R
SCHEMBL6174494 0.77 IGF1R (0.42) ARIGF1R

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-3188729-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS Genzyme Corporation (US) 2017-07-12 EP disclosed
WO-2016036796-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS GENZYME CORPORATION (US) 2016-03-10 WO disclosed