SCHEMBL7510574

SCHEMBL7510574

Nc1ncc(Sc2ccc(Cl)cc2)c(N[C@H]2CCC[C@@H](O)C2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
MAPK8 P45983 13/20 0.41
MAPK9 P45984 6/20 0.39
SYK P43405 1/20 0.38
IRAK1 P51617 1/20 0.37
CDC7 O00311 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
PIM1 P11309 1/20 0.36
PRKACA P17612 1/20 0.36
CDK2 P24941 1/20 0.36
FLT3 P36888 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CDK8 P49336 1/20 0.36
CLK2 P49760 1/20 0.36
GSK3B P49841 1/20 0.36
CDK9 P50750 1/20 0.36
PRKX P51817 1/20 0.36

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
SCHEMBL7510562 1.00 RXFP1 (0.47) RXFP1MAPK8MAPK9SYKIRAK1
SCHEMBL7515537 1.00 RXFP1 (0.47) RXFP1MAPK8MAPK9SYKIRAK1
SCHEMBL7510566 1.00 RXFP1 (0.47) RXFP1MAPK8MAPK9SYKIRAK1
SCHEMBL7515530 1.00 RXFP1 (0.47) RXFP1MAPK8MAPK9SYKIRAK1
SCHEMBL7520097 0.96 MAPK8 (0.46) RXFP1MAPK8MAPK9SYKIRAK1
SCHEMBL7520093 0.96 MAPK8 (0.46) RXFP1MAPK8MAPK9SYKIRAK1
SCHEMBL7513913 0.94 RXFP1 (0.49) RXFP1MAPK8MAPK9SYKIRAK1
SCHEMBL7513900 0.94 RXFP1 (0.49) RXFP1MAPK8MAPK9SYKIRAK1
SCHEMBL7513904 0.94 RXFP1 (0.49) RXFP1MAPK8MAPK9SYKIRAK1
SCHEMBL7573745 0.89 RXFP1 (0.42) RXFP1MAPK8MAPK9SYKFLT3

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-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