SCHEMBL2484994

SCHEMBL2484994

CCOc1nc(C(=O)NCC2(C)CCNCC2)cc(N)c1C#N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 20/20 0.62
MAPK9 P45984 15/20 0.62
MAPK10 P53779 8/20 0.60
RPS27 P42677 3/20 0.60
PRKD2 Q9BZL6 6/20 0.59
CSF1R P07333 5/20 0.59
MAPK1 P28482 5/20 0.59
AKT1 P31749 3/20 0.59
CSNK2A1 P68400 1/20 0.59
NTRK2 Q16620 1/20 0.59
PLK3 Q9H4B4 1/20 0.59
PRKD3 O94806 4/20 0.55
ROCK2 O75116 3/20 0.55
CSNK1D P48730 3/20 0.55
DYRK3 O43781 2/20 0.55
RPS6KB1 P23443 2/20 0.55
JUN P05412 1/20 0.55
AURKA O14965 1/20 0.55
MAP4K2 Q12851 2/20 0.54
KIT P10721 1/20 0.54

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
Trifluoroacetic Acid SCHEMBL1315428 0.94 MAPK8 (0.56) MAPK8MAPK9MAPK10RPS27PRKD2
SCHEMBL1318078 0.89 MAPK8 (0.60) MAPK8MAPK9MAPK10RPS27PRKD2
SCHEMBL1318316 0.86 MAPK8 (0.59) MAPK8MAPK9MAPK10RPS27PRKD2
SCHEMBL12113589 0.82 MAPK8 (0.55) MAPK8MAPK9MAPK10RPS27PRKD2
SCHEMBL1145113 0.82 MAPK8 (0.64) MAPK8MAPK9MAPK10RPS27PRKD2
Hydrochloric Acid SCHEMBL1314890 0.81 MAPK8 (0.62) MAPK8MAPK9MAPK10RPS27PRKD2
SCHEMBL12113593 0.79 MAPK8 (0.47) MAPK8MAPK9MAPK10RPS27PRKD2
SCHEMBL13514197 0.79 MAPK8 (0.83) MAPK8MAPK9MAPK10RPS27PRKD2
SCHEMBL13514301 0.78 MAPK8 (0.70) MAPK8MAPK9MAPK10RPS27PRKD2
SCHEMBL13514091 0.77 MAPK8 (0.73) MAPK8MAPK9MAPK10RPS27PRKD2

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-2375899-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF Array Biopharma, Inc. (US) 2011-10-19 EP disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 WO disclosed