SCHEMBL5559357

SCHEMBL5559357

Nc1nc(C2CCN(Cc3cccnc3)CC2)nc2sccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
DRD2 P14416 1/20 0.44
KCNH2 Q12809 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
TRPV6 Q9H1D0 3/20 0.42
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
FLT3 P36888 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL17377883 0.74 CHRNB2 (0.47) CHRNB2CHRNA4DRD2KCNH2LMNA
SCHEMBL5015324 0.70 CHRNB2 (0.68) CHRNB2CHRNA4DRD2TRPV6CHRM2
SCHEMBL11201872 0.70 GAA (0.53) LMNATSHRKDM4EALDH1A1HTT
Hydrochloric Acid SCHEMBL61401 0.69 CHRNB2 (0.66) CHRNB2CHRNA4DRD2TRPV6CHRM2
SCHEMBL23028620 0.68 CHRNB2 (0.64) CHRNB2CHRNA4TRPV6KDM4EALDH1A1
SCHEMBL29508484 0.68 CHRNB2 (0.64) CHRNB2CHRNA4TRPV6KDM4EALDH1A1
SCHEMBL16026435 0.68 CHRNB2 (0.85) CHRNB2CHRNA4DRD2TRPV6KDM4E
SCHEMBL12424619 0.67 CHRNB2 (0.68) CHRNB2CHRNA4TRPV6KDM4EALDH1A1
SCHEMBL30574692 0.67 CHRNB2 (0.68) CHRNB2CHRNA4TRPV6KDM4EALDH1A1
SCHEMBL8306431 0.67 CHRNB2 (0.72) CHRNB2CHRNA4DRD2TRPV6KDM4E

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