SCHEMBL7516597

SCHEMBL7516597

Nc1ncc(Sc2ccc(O)cc2)c(N[C@H]2CC[C@H](O)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.39
MERTK Q12866 8/20 0.39
AXL P30530 4/20 0.39
TYRO3 Q06418 6/20 0.38
FLT3 P36888 4/20 0.38
GAS6 Q14393 4/20 0.38
DHFR P00374 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
FYN P06241 1/20 0.38
MAPK8 P45983 2/20 0.36
MAPK9 P45984 1/20 0.36
CSNK2A1 P68400 1/20 0.36
MAPK14 Q16539 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
ADORA2B P29275 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
JAK1 P23458 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
SCHEMBL7520049 0.90 ADORA2A (0.43) CHUKMERTKAXLTYRO3FLT3
SCHEMBL7520051 0.90 ADORA2A (0.43) CHUKMERTKAXLTYRO3FLT3
SCHEMBL7510908 0.89 RXFP1 (0.51) CHUKMERTKAXLTYRO3FLT3
SCHEMBL7511522 0.89 RXFP1 (0.42) CHUKMERTKAXLTYRO3FLT3
SCHEMBL7511527 0.89 RXFP1 (0.42) CHUKMERTKAXLTYRO3FLT3
SCHEMBL7510904 0.89 RXFP1 (0.51) CHUKMERTKAXLTYRO3FLT3
SCHEMBL7516100 0.84 MERTK (0.41) MERTKAXLTYRO3FLT3GAS6
SCHEMBL7513913 0.83 RXFP1 (0.49) MERTKAXLTYRO3FLT3GAS6
SCHEMBL7513900 0.83 RXFP1 (0.49) MERTKAXLTYRO3FLT3GAS6
SCHEMBL7513904 0.83 RXFP1 (0.49) MERTKAXLTYRO3FLT3GAS6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165522-A1 NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES Krenitsky Pharmaceuticals, Inc. (US) 2002-01-02 EP claimed
WO-2000059893-A1 NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-12 WO claimed
EP-1165522-A1 NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES Krenitsky Pharmaceuticals, Inc. (US) 2002-01-02 EP disclosed
WO-2000059893-A1 NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-12 WO disclosed