SCHEMBL7013085

SCHEMBL7013085

Cc1c(C(N)=O)sc2ncn(CCN3CCN(c4ncccn4)CC3)c(=O)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
KDM4E B2RXH2 1/20 0.56
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HTR1A P08908 6/20 0.49
HTR7 P34969 5/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTR2C P28335 1/20 0.46
ADRA1D P25100 1/20 0.45
HTR1B P28222 1/20 0.45

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
SCHEMBL7011681 0.89 HPGD (0.48) GAAKDM4EKMT2AMEN1HTR1A
Hydrochloric Acid SCHEMBL7722346 0.88 HPGD (0.48) GAAKDM4EKMT2AMEN1HTR1A
SCHEMBL7014408 0.88 ALDH1A1 (0.48) GAAKDM4EKMT2AMEN1HTR1A
SCHEMBL7013064 0.83 HTR1A (0.53) GAAKDM4EKMT2AMEN1HTR1A
SCHEMBL7010066 0.83 HTR1A (0.63) GAAKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL7012098 0.78 RXFP1 (0.54) GAAKDM4EKMT2AMEN1HTR1A
SCHEMBL7667597 0.75 RXFP1 (0.55) HTR1AHTR7HTR2CADRA1DHTR1B
SCHEMBL7012057 0.75 HTR1A (0.61) GAAHTR1AHTR7POLBADRA1D
SCHEMBL7676809 0.74 HTR1A (0.56) HTR1AHTR7HTR2CADRA1DHTR1B
SCHEMBL6998104 0.74 HTR1A (0.74) HTR1AHTR7HTR2CADRA1DHTR1B

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-0988306-B1 3-SUBSTITUTED 3,4 DIHYDRO-THIENO 2, 3-D]PYRIMIDINE DERIVATIVES AND PRODUCTION AND USE OF THE SAME ABBOTT GMBH & CO KG (DE) 2003-07-09 EP disclosed
US-6387912-B1 STROKE THERAPY BASF AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6159962-A 3-substituted 3,4-dihydro-thieno[2,3-D]pyrimidine derivatives and production and use of the same BASF AKTIENGESELLSCHAFT (DE) 2000-12-12 US disclosed