SCHEMBL7513900

SCHEMBL7513900

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.49
MAPK8 P45983 7/20 0.37
DHFR P00374 1/20 0.36
MERTK Q12866 6/20 0.35
TYRO3 Q06418 5/20 0.35
FLT3 P36888 4/20 0.35
GAS6 Q14393 4/20 0.35
IRAK1 P51617 1/20 0.35
EGFR P00533 1/20 0.35
TYMS P04818 1/20 0.35
AXL P30530 2/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
MAPK9 P45984 4/20 0.34
MAPK14 Q16539 1/20 0.34
SYK P43405 1/20 0.33

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
SCHEMBL7513904 1.00 RXFP1 (0.49) RXFP1MAPK8DHFRMERTKTYRO3
SCHEMBL7513913 1.00 RXFP1 (0.49) RXFP1MAPK8DHFRMERTKTYRO3
SCHEMBL7520097 0.94 MAPK8 (0.46) RXFP1MAPK8MERTKTYRO3FLT3
SCHEMBL7520093 0.94 MAPK8 (0.46) RXFP1MAPK8MERTKTYRO3FLT3
SCHEMBL7510566 0.94 RXFP1 (0.47) RXFP1MAPK8DHFRFLT3IRAK1
SCHEMBL7515530 0.94 RXFP1 (0.47) RXFP1MAPK8DHFRFLT3IRAK1
SCHEMBL7510562 0.94 RXFP1 (0.47) RXFP1MAPK8DHFRFLT3IRAK1
SCHEMBL7510574 0.94 RXFP1 (0.47) RXFP1MAPK8DHFRFLT3IRAK1
SCHEMBL7515537 0.94 RXFP1 (0.47) RXFP1MAPK8DHFRFLT3IRAK1
SCHEMBL7510908 0.93 RXFP1 (0.51) RXFP1MAPK8DHFRMERTKTYRO3

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