SCHEMBL5559216

SCHEMBL5559216

Nc1nc(C2CCN(Cc3cc(F)cc(F)c3)CC2)nc2sc(Cl)c(-c3ccc(F)cc3)c12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.41
SSTR5 P35346 2/20 0.38
MAP4K4 O95819 5/20 0.38
KCNH2 Q12809 2/20 0.38
SSTR3 P32745 1/20 0.38
DRD2 P14416 3/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
BCHE P06276 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK14 Q16539 1/20 0.35
RPS6KB1 P23443 1/20 0.35

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
SCHEMBL1605065 0.73 MEN1 (0.54) ACHEMEN1KMT2A
SCHEMBL5554340 0.71 ADORA1 (0.40) ACHEMAP4K4
SCHEMBL8108284 0.60 SIGMAR1 (0.46) ACHEMAP4K4MEN1KMT2A
SCHEMBL1604858 0.60 SIGMAR1 (0.46) ACHEMAP4K4MEN1KMT2A
SCHEMBL8552184 0.60 DRD4 (0.61) ACHESSTR5DRD2DRD4DRD3
SCHEMBL6981484 0.59 DRD2 (0.58) ACHEDRD2DRD4DRD3BCHE
SCHEMBL10556550 0.59 MEN1 (0.61) ACHEDRD2DRD3BCHEMEN1
SCHEMBL2169088 0.59 DCPS (0.78)
SCHEMBL2673348 0.58 CXCR4 (0.47) ACHEMAP4K4
SCHEMBL8108384 0.58 BCHE (0.55) ACHEBCHE

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-1797099-A1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS Epix Delaware, Inc. (US) 2007-06-20 EP disclosed
WO-2006034511-A1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS EPIX DELAWARE, INC. (US) 2006-03-30 WO disclosed