SCHEMBL7015091

SCHEMBL7015091

COc1ccc([CH]c2nc(CNCc3ccc4c(c3)OCO4)nc3sc4c(c23)CCCC4)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 5/20 0.41
PTPN12 Q05209 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
MEN1 O00255 3/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE5A O76074 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
SCHEMBL5413005 0.85 MAPT (0.51) MAPTALDH1A1MAPK1TDP1KMT2A
SCHEMBL5410532 0.73 MAPT (0.46) MAPTALDH1A1KMT2AMEN1TSHR
SCHEMBL5402116 0.70 MAPT (0.47) MAPTALDH1A1KMT2AMEN1TSHR
SCHEMBL5408444 0.69 MEN1 (0.58) KMT2AMEN1LMNAPDE5A
SCHEMBL5412840 0.69 MAPT (0.46) MAPTALDH1A1KMT2AMEN1TSHR
SCHEMBL5409577 0.69 MAPT (0.44) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL5408518 0.69 GPR55 (0.48) MAPTALDH1A1MAPK1TDP1KMT2A
SCHEMBL5407504 0.69 MAPT (0.47) MAPTALDH1A1KMT2AMEN1TSHR
SCHEMBL5408026 0.69 MAPT (0.51) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL7012571 0.68 MEN1 (0.52) MAPTALDH1A1MAPK1KMT2APTPN12

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-1294729-A1 2-AMINOALKYL-THIENO[2,3-D]PYRIMIDINES MERCK PATENT GmbH (DE) 2003-03-26 EP claimed
WO-2002000664-A1 2-AMINOALKYL-THIENO[2,3-D]PYRIMIDINES MERCK PATENT GMBH (DE) 2002-01-03 WO claimed