SCHEMBL6236029

SCHEMBL6236029

COc1ncccc1Nc1nc(C#N)nc(N2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.44
ACHE P22303 2/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 1/20 0.43
NSD2 O96028 1/20 0.42
CTSL P07711 3/20 0.42
CTSB P07858 3/20 0.42
CTSS P25774 3/20 0.42
CTSK P43235 3/20 0.42
POLB P06746 1/20 0.41
ALK Q9UM73 2/20 0.41
MAPT P10636 1/20 0.41
SLC2A1 P11166 1/20 0.41
PTPN11 Q06124 1/20 0.40
GPR6 P46095 1/20 0.40

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
SCHEMBL6239608 0.87 NSD2 (0.47) ACHENSD2CTSLCTSBCTSS
SCHEMBL6237944 0.82 CTSK (0.49) CTSLCTSBCTSSCTSKMAPT
SCHEMBL6236367 0.81 CTSK (0.63) CTSLCTSBCTSSCTSKPOLB
SCHEMBL8314339 0.81 CTSS (0.63) CTSLCTSBCTSSCTSKPOLB
SCHEMBL20919401 0.74 POLB (0.56) GPR119ACHEPOLBMAPT
SCHEMBL6236127 0.73 CTSL (0.60) GPR119NSD2CTSLCTSBCTSS
SCHEMBL6234182 0.73 MAPT (0.53) ACHEALKMAPT
SCHEMBL30062832 0.72 GPR119 (0.51) GPR119POLBGPR6
SCHEMBL22711990 0.72 GPR6 (0.73) GPR6
SCHEMBL27226676 0.72 GPR119 (0.54) GPR119ACHENSD2MAPTPTPN11

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
WO-2005011703-A1 2-CYANO-1,3,5-TRIAZINE-4,6-DIAMINE DERIVATIVES AKZO NOBEL N.V. (NL) 2005-02-10 WO disclosed
WO-2005011703-A1 2-CYANO-1,3,5-TRIAZINE-4,6-DIAMINE DERIVATIVES AKZO NOBEL N.V. (NL) 2005-02-10 WO disclosed