SCHEMBL2506250

SCHEMBL2506250

CCOc1nc(CNCC2CCN(C(=O)O)CC2)cc(N)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 20/20 0.50
MAPK9 P45984 16/20 0.50
MAPK10 P53779 3/20 0.48
PRKD3 O94806 2/20 0.48
PRKD2 Q9BZL6 2/20 0.48
MAP4K4 O95819 1/20 0.48
MAP4K2 Q12851 1/20 0.48
PKN2 Q16513 1/20 0.48
STK17A Q9UEE5 1/20 0.48
RPS27 P42677 4/20 0.47
CSF1R P07333 1/20 0.44
MAPK1 P28482 1/20 0.44
AKT1 P31749 1/20 0.44
CSNK2A1 P68400 1/20 0.44
NTRK2 Q16620 1/20 0.44
PLK3 Q9H4B4 1/20 0.44

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
SCHEMBL2514883 0.88 MAPK8 (0.49) MAPK8MAPK9MAPK10PRKD3PRKD2
SCHEMBL1314174 0.84 MAPK8 (0.60) MAPK8MAPK9MAPK10PRKD3PRKD2
SCHEMBL2511759 0.82 MAPK8 (0.46) MAPK8MAPK9MAPK10PRKD3PRKD2
SCHEMBL1145397 0.78 MAPK8 (0.59) MAPK8MAPK9MAPK10PRKD3PRKD2
SCHEMBL2547184 0.76 MAPK8 (0.42) MAPK8MAPK9MAPK10PRKD3PRKD2
SCHEMBL1145423 0.76 MAPK8 (0.59) MAPK8MAPK9MAPK10PRKD3PRKD2
SCHEMBL1317582 0.74 MAPK8 (0.57) MAPK8MAPK9MAPK10PRKD3PRKD2
SCHEMBL1145807 0.73 MAPK8 (0.56) MAPK8MAPK9MAPK10PRKD3PRKD2
SCHEMBL12113069 0.73 MAPK8 (0.56) MAPK8MAPK9MAPK10PRKD3PRKD2
SCHEMBL13514301 0.73 MAPK8 (0.70) MAPK8MAPK9MAPK10PRKD3PRKD2

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