SCHEMBL12441340

SCHEMBL12441340

COc1cc(-c2ccnc(C)c2)ccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.65
UHRF1 Q96T88 1/20 0.50
LOX P28300 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
LRRK2 Q5S007 1/20 0.45
S1PR1 P21453 2/20 0.44
ACVR2A P27037 3/20 0.43
TGFBR2 P37173 3/20 0.43
CNR1 P21554 1/20 0.43
MAP4K4 O95819 1/20 0.42
S1PR3 Q99500 1/20 0.42
PIM1 P11309 1/20 0.42
DYRK2 Q92630 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
CYP19A1 P11511 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
TGFBR1 P36897 1/20 0.41
SLC13A5 Q86YT5 1/20 0.41

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
SCHEMBL16116782 0.89 LOX (0.55) DYRK1ALOXLOXL2LRRK2S1PR1
SCHEMBL30626327 0.89 LOX (0.55) DYRK1ALOXLOXL2LRRK2S1PR1
SCHEMBL18481804 0.84 LOX (0.47) DYRK1ALOXLOXL2LRRK2S1PR1
SCHEMBL13036116 0.84 DYRK1A (0.55) DYRK1ALOXLOXL2LRRK2S1PR1
SCHEMBL1896511 0.82 DYRK1A (0.65) DYRK1AUHRF1MAP4K4CCNCCDK8
SCHEMBL30308690 0.82 DYRK1A (0.65) DYRK1AUHRF1MAP4K4CCNCCDK8
SCHEMBL94462 0.82 DYRK1A (0.49) DYRK1ALOXLOXL2LRRK2S1PR1
SCHEMBL14970135 0.82 DYRK1A (0.62) DYRK1ALOXL2CYP19A1
SCHEMBL30042310 0.82 DYRK1A (0.49) DYRK1ALOXLOXL2LRRK2S1PR1
SCHEMBL29141734 0.82 DYRK1A (0.53) DYRK1ALOXLOXL2LRRK2S1PR1

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-1773775-B1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-08-17 EP disclosed