SCHEMBL5207181

SCHEMBL5207181

Nc1ncc(Oc2ccc(Cl)cc2F)c(NCCO)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 2/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
KCNH2 Q12809 1/20 0.39
MET P08581 1/20 0.37
POLB P06746 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
KDR P35968 1/20 0.36
JAK3 P52333 1/20 0.36
AURKB Q96GD4 1/20 0.36
SLC6A3 Q01959 1/20 0.36
STK17A Q9UEE5 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
SCN9A Q15858 4/20 0.35
SGK1 O00141 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL5203455 0.88 TTR (0.40) BCL6SLC6A2SLC6A4POLBSLC6A3
SCHEMBL5207953 0.86 SLC6A2 (0.44) SLC6A2SLC6A4KCNH2POLBSLC6A3
SCHEMBL5206090 0.84 BCL6 (0.42) BCL6SLC6A2SLC6A4SLC6A3STK17A
SCHEMBL5205013 0.82 KCNH2 (0.40) KCNH2POLBSTK17ACYP2D6CYP2C19
SCHEMBL5202529 0.76 MET (0.41) SLC6A2SLC6A4KCNH2METKDR
SCHEMBL5203505 0.76 MAPK14 (0.43) METSGK1
SCHEMBL5203513 0.76 MAPK14 (0.43) METSGK1
SCHEMBL1376217 0.75 NUDT1 (0.43) KCNH2STK17ASCN9A
SCHEMBL5202871 0.74 STK17A (0.42) KCNH2STK17ASCN9A
SCHEMBL1376097 0.74 STK17A (0.41) KCNH2STK17ASCN9A

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-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP claimed
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP disclosed
US-6916820-B1 Neurotrophic substituted pyrimidines KRENITSKY PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed