SCHEMBL7522432

SCHEMBL7522432

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
MAPK8 P45983 1/20 0.38
MERTK Q12866 7/20 0.38
AXL P30530 2/20 0.38
SYK P43405 2/20 0.37
FLT3 P36888 5/20 0.36
TYRO3 Q06418 5/20 0.36
GAS6 Q14393 5/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BTK Q06187 1/20 0.34
MAPK14 Q16539 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 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
SCHEMBL7522426 1.00 RXFP1 (0.43) RXFP1MAPK8MERTKAXLSYK
SCHEMBL7515160 0.93 RXFP1 (0.49) RXFP1MAPK8SYKKDM4EMEN1
SCHEMBL7515161 0.93 RXFP1 (0.49) RXFP1MAPK8SYKKDM4EMEN1
SCHEMBL7519308 0.93 RXFP1 (0.49) RXFP1MAPK8SYKKDM4EMEN1
SCHEMBL7513918 0.93 RXFP1 (0.42) RXFP1MAPK8MERTKAXLSYK
SCHEMBL7513915 0.93 RXFP1 (0.42) RXFP1MAPK8MERTKAXLSYK
SCHEMBL7573745 0.93 RXFP1 (0.42) RXFP1MAPK8MERTKAXLSYK
SCHEMBL7515124 0.91 RXFP1 (0.49) RXFP1MAPK8SYKKDM4EMEN1
SCHEMBL7514882 0.91 RXFP1 (0.49) RXFP1MAPK8SYKKDM4EMEN1
SCHEMBL7514879 0.91 RXFP1 (0.49) RXFP1MAPK8SYKKDM4EMEN1

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