SCHEMBL7573745

SCHEMBL7573745

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
MAPK8 P45983 8/20 0.36
SYK P43405 2/20 0.34
MAPK9 P45984 4/20 0.33
LATS1 O95835 2/20 0.33
MERTK Q12866 2/20 0.33
LATS2 Q9NRM7 1/20 0.33
IDH1 O75874 1/20 0.33
AXL P30530 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ILK Q13418 1/20 0.33
FLT3 P36888 1/20 0.32
TYRO3 Q06418 1/20 0.32
GAS6 Q14393 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
SCHEMBL7513918 1.00 RXFP1 (0.42) RXFP1MAPK8SYKMAPK9LATS1
SCHEMBL7513915 1.00 RXFP1 (0.42) RXFP1MAPK8SYKMAPK9LATS1
SCHEMBL7522432 0.93 RXFP1 (0.43) RXFP1MAPK8SYKMERTKAXL
SCHEMBL7522426 0.93 RXFP1 (0.43) RXFP1MAPK8SYKMERTKAXL
SCHEMBL7515124 0.91 RXFP1 (0.49) RXFP1MAPK8SYKLATS1LATS2
SCHEMBL7514879 0.91 RXFP1 (0.49) RXFP1MAPK8SYKLATS1LATS2
SCHEMBL7514882 0.91 RXFP1 (0.49) RXFP1MAPK8SYKLATS1LATS2
SCHEMBL7513913 0.91 RXFP1 (0.49) RXFP1MAPK8SYKMAPK9MERTK
SCHEMBL7513900 0.91 RXFP1 (0.49) RXFP1MAPK8SYKMAPK9MERTK
SCHEMBL7513904 0.91 RXFP1 (0.49) RXFP1MAPK8SYKMAPK9MERTK

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