SCHEMBL5034035

SCHEMBL5034035

CC(C)(C)N1CCC(Nc2ncnc3sccc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.64
HTT P42858 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MALT1 Q9UDY8 1/20 0.55
RAB9A P51151 4/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
CHRNA7 P36544 1/20 0.43
HTR3A P46098 1/20 0.43
MEN1 O00255 6/20 0.42
KMT2A Q03164 5/20 0.42
TNF P01375 1/20 0.42
NOD1 Q9Y239 1/20 0.42
PIP4K2A P48426 3/20 0.41
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NOD2 Q9HC29 1/20 0.41
PIP4K2C Q8TBX8 1/20 0.41

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
SCHEMBL1922893 0.81 GPR119 (0.55) IRAK4HTTSMN1; SMN2MALT1RAB9A
SCHEMBL16406300 0.78 IRAK4 (1.00) IRAK4HTTSMN1; SMN2MALT1
SCHEMBL1605139 0.77 HTT (1.00) IRAK4HTTSMN1; SMN2RAB9AMAPT
SCHEMBL27378075 0.75 IRAK4 (0.65) IRAK4HTTSMN1; SMN2MALT1RAB9A
SCHEMBL5037731 0.75 MEN1 (0.55) MEN1KMT2A
SCHEMBL1604201 0.75 HTT (0.75) IRAK4HTTSMN1; SMN2MALT1RAB9A
SCHEMBL1604038 0.73 HTT (0.52) IRAK4HTTSMN1; SMN2MALT1RAB9A
SCHEMBL6640537 0.73 IRAK4 (0.59) IRAK4HTTSMN1; SMN2MALT1RAB9A
SCHEMBL12710367 0.72 HTT (0.77) IRAK4HTTSMN1; SMN2RAB9AMEN1
SCHEMBL18538841 0.72 IRAK4 (0.60) IRAK4HTTSMN1; SMN2MALT1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622914-A4 NEW PIPERIDINYLAMINO-THIENO 2,3-D PYRIMIDINE COMPOUNDS EPIX DELAWARE INC (US) 2008-03-12 EP disclosed
EP-1622914-A2 NEW PIPERIDINYLAMINO-THIENO 2,3-D PYRIMIDINE COMPOUNDS Predix Pharmaceuticals Holdings, Inc. (US) 2006-02-08 EP disclosed
WO-2004089312-A2 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-10-21 WO disclosed