SCHEMBL11963308

SCHEMBL11963308

CC(C)(C)OC(=O)N1CC2CC1CN2c1cc(-n2nc(Cl)c3ccccc32)ccn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.51
HDAC1 Q13547 2/20 0.45
MAPK8 P45983 1/20 0.45
GPR119 Q8TDV5 2/20 0.41
RET P07949 2/20 0.39
SPR P35270 1/20 0.38
HSD11B1 P28845 1/20 0.36
GRM2 Q14416 1/20 0.36
CNR1 P21554 2/20 0.35
PARP2 Q9UGN5 1/20 0.35
USP30 Q70CQ3 1/20 0.35
LRRK2 Q5S007 1/20 0.34
IDH1 O75874 1/20 0.34
KCNK3 O14649 2/20 0.33
KCNK9 Q9NPC2 2/20 0.33

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
SCHEMBL11963309 1.00 PARP1 (0.51) PARP1HDAC1MAPK8GPR119RET
SCHEMBL11963125 0.84 PARP1 (0.43) PARP1HDAC1MAPK8GPR119RET
SCHEMBL11963126 0.84 PARP1 (0.43) PARP1HDAC1MAPK8GPR119RET
SCHEMBL11963802 0.83 HDAC1 (0.43) PARP1HDAC1MAPK8GPR119RET
SCHEMBL11963801 0.83 HDAC1 (0.43) PARP1HDAC1MAPK8GPR119RET
SCHEMBL11963223 0.79 SLC6A7 (0.36) PARP1HDAC1MAPK8CNR1
SCHEMBL11963070 0.79 LRRK2 (0.53) GPR119RETLRRK2
SCHEMBL11963443 0.78 HDAC1 (0.43) PARP1HDAC1MAPK8GPR119RET
SCHEMBL11963537 0.77 PARP1 (0.51) PARP1HDAC1MAPK8GPR119RET
SCHEMBL11963538 0.77 PARP1 (0.51) PARP1HDAC1MAPK8GPR119RET

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-2489663-A1 Compounds as syk kinase inhibitors Almirall, S.A. (ES) 2012-08-22 EP disclosed