SCHEMBL1849065

SCHEMBL1849065

CC(c1ccccc1Cl)N1CC=C(c2c[nH]c3ncccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
KDM4E B2RXH2 3/20 0.49
LMNA P02545 3/20 0.49
ALOX15 P16050 3/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
MAP4K4 O95819 5/20 0.49
PIM1 P11309 5/20 0.49
PRKACA P17612 5/20 0.49
GSK3B P49841 5/20 0.49
CLK4 Q9HAZ1 5/20 0.49
CLK2 P49760 4/20 0.49
CDK5 Q00535 4/20 0.49
DYRK1A Q13627 4/20 0.49
HIPK2 Q9H2X6 4/20 0.49
CHEK1 O14757 3/20 0.49
PRKAA1 Q13131 3/20 0.49
ROCK1 Q13464 3/20 0.49

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
SCHEMBL3231370 0.85 CDK2 (0.59) TMEM97SIGMAR1KDM4ELMNAALOX15
SCHEMBL1850842 0.81 CHEK1 (0.66) TMEM97SIGMAR1LMNAMAP4K4PIM1
SCHEMBL3600611 0.78 CHEK1 (0.66) TMEM97SIGMAR1LMNAMAP4K4PIM1
SCHEMBL2064431 0.77 SLC6A4 (0.64) TMEM97SIGMAR1KDM4ELMNAALOX15
SCHEMBL13064304 0.74 TMEM97 (0.59) TMEM97SIGMAR1KDM4ELMNAALOX15
SCHEMBL13502652 0.74 SIGMAR1 (0.68) TMEM97SIGMAR1KDM4ELMNAALOX15
SCHEMBL18324727 0.72 TDO2 (0.67) TMEM97SIGMAR1MAP4K4PIM1PRKACA
SCHEMBL18324729 0.72 CHEK1 (0.63) TMEM97SIGMAR1LMNAMAP4K4PIM1
SCHEMBL18129469 0.71 CHEK1 (0.62) TMEM97SIGMAR1MAP4K4PIM1PRKACA
SCHEMBL1853760 0.71 CHEK1 (0.62) TMEM97SIGMAR1LMNAMAP4K4PIM1

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-2323659-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2011-05-25 EP disclosed
WO-2010017150-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2010-02-11 WO disclosed