SCHEMBL3385254

SCHEMBL3385254

NC(c1ccccn1)c1ncnc2scc(C3CCCCC3)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 1/20 0.35
HTT P42858 5/20 0.34
NPSR1 Q6W5P4 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
KCNA5 P22460 3/20 0.32
KCNE1 P15382 1/20 0.32
DAPK3 O43293 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32

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
SCHEMBL2369434 0.81 PIP4K2C (0.35) PIP4K2CHTTNPSR1SMN1; SMN2POLB
SCHEMBL2368686 0.78 EGFR (0.37) PIP4K2CHTTSMN1; SMN2POLBLMNA
SCHEMBL2369059 0.75 FGFR1 (0.56) HTTSMN1; SMN2LMNAHPGDGPR55
SCHEMBL2368844 0.75 ALDH1A1 (0.40) PIP4K2CHTTNPSR1SMN1; SMN2POLB
SCHEMBL2369167 0.75 HTT (0.37) PIP4K2CHTTNPSR1SMN1; SMN2POLB
SCHEMBL3385743 0.72 HTT (0.54) PIP4K2CHTTNPSR1SMN1; SMN2LMNA
SCHEMBL3387950 0.72 LMNA (0.52) PIP4K2CHTTNPSR1SMN1; SMN2LMNA
SCHEMBL3382727 0.70 KDR (0.41) PIP4K2CHTTNPSR1SMN1; SMN2LMNA
SCHEMBL3385257 0.70 TNF (0.61) PIP4K2CHTTNPSR1SMN1; SMN2POLB
SCHEMBL3381240 0.70 LMNA (0.48) PIP4K2CHTTNPSR1SMN1; SMN2POLB

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-1641803-B3 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2010-12-08 EP disclosed
EP-1641803-B1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2009-03-18 EP disclosed