SCHEMBL7520049

SCHEMBL7520049

Nc1ncc(Sc2ccccc2)c(NC2CCC(O)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.43
ADORA1 P30542 3/20 0.43
ADORA3 P0DMS8 2/20 0.43
MERTK Q12866 10/20 0.42
MAPK8 P45983 2/20 0.42
MAPK9 P45984 1/20 0.42
ADORA2B P29275 1/20 0.41
TYRO3 Q06418 8/20 0.41
AXL P30530 6/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
CHUK O15111 1/20 0.40
FLT3 P36888 3/20 0.40
GAS6 Q14393 3/20 0.40
CSNK2A1 P68400 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL7520051 1.00 ADORA2A (0.43) ADORA2AADORA1ADORA3MERTKMAPK8
SCHEMBL7516597 0.90 CHUK (0.39) ADORA2AADORA1ADORA3MERTKMAPK8
SCHEMBL7511527 0.89 RXFP1 (0.42) ADORA2AADORA1MERTKMAPK8MAPK9
SCHEMBL7511522 0.89 RXFP1 (0.42) ADORA2AADORA1MERTKMAPK8MAPK9
SCHEMBL7510904 0.89 RXFP1 (0.51) ADORA1MERTKMAPK8MAPK9TYRO3
SCHEMBL7510908 0.89 RXFP1 (0.51) ADORA1MERTKMAPK8MAPK9TYRO3
SCHEMBL7516100 0.84 MERTK (0.41) MERTKMAPK8MAPK9TYRO3AXL
SCHEMBL7513913 0.82 RXFP1 (0.49) MERTKMAPK8MAPK9TYRO3AXL
SCHEMBL7513900 0.82 RXFP1 (0.49) MERTKMAPK8MAPK9TYRO3AXL
SCHEMBL7513904 0.82 RXFP1 (0.49) MERTKMAPK8MAPK9TYRO3AXL

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