SCHEMBL27978490

SCHEMBL27978490

CCOC(C1CCN(c2ncc3c(-c4ccccc4)c(NC(C)=O)sc3n2)CC1)N1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.38
APEX1 P27695 2/20 0.35
CKS1B P61024 2/20 0.35
SKP1 P63208 2/20 0.35
SKP2 Q13309 2/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 2/20 0.33
P2RY12 Q9H244 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
GLS O94925 2/20 0.33
SCN9A Q15858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL27978468 0.92 PTPN11 (0.37) PTPN11MAPTPOLBP2RY12GLS
SCHEMBL27978780 0.91 MAPT (0.37) PTPN11MAPTPOLBP2RY12GLS
SCHEMBL27978691 0.82 ADRB3 (0.41) MEN1KMT2A
SCHEMBL27978487 0.81 PTPN11 (0.33) PTPN11P2RY12MEN1ALDH1A1CYP2C9
SCHEMBL14965345 0.79 HTR2A (0.36) KDM4E
SCHEMBL27978494 0.78 SMN1; SMN2 (0.39) KDM4EKMT2ASMN1; SMN2
SCHEMBL27978717 0.73 SMN1; SMN2 (0.38) POLBHTTKMT2ASMN1; SMN2
SCHEMBL14965244 0.73 HTR1A (0.38) KDM4E
SCHEMBL27978447 0.72 KMT2A (0.42) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL27978716 0.70 MAPT (0.35) MAPTMEN1ALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104011054-A Thieno- and furo-pyrimidines and pyridines, useful as potassium channel inhibitors XENTION LTD 2014-08-27 CN disclosed