SCHEMBL7510904

SCHEMBL7510904

Nc1ncc(Sc2ccc(Cl)cc2)c(NC2CCC(O)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.51
MERTK Q12866 8/20 0.40
TYRO3 Q06418 6/20 0.40
FLT3 P36888 5/20 0.40
GAS6 Q14393 5/20 0.40
MAPK14 Q16539 1/20 0.39
AXL P30530 3/20 0.38
CHUK O15111 1/20 0.38
DHFR P00374 1/20 0.38
ADORA1 P30542 1/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
BTK Q06187 1/20 0.37
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
EGFR P00533 1/20 0.36
TYMS P04818 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 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
SCHEMBL7510908 1.00 RXFP1 (0.51) RXFP1MERTKTYRO3FLT3GAS6
SCHEMBL7513900 0.93 RXFP1 (0.49) RXFP1MERTKTYRO3FLT3GAS6
SCHEMBL7513913 0.93 RXFP1 (0.49) RXFP1MERTKTYRO3FLT3GAS6
SCHEMBL7513904 0.93 RXFP1 (0.49) RXFP1MERTKTYRO3FLT3GAS6
SCHEMBL7520097 0.92 MAPK8 (0.46) RXFP1MERTKTYRO3FLT3GAS6
SCHEMBL7520093 0.92 MAPK8 (0.46) RXFP1MERTKTYRO3FLT3GAS6
SCHEMBL7522432 0.91 RXFP1 (0.43) RXFP1MERTKTYRO3FLT3GAS6
SCHEMBL7522426 0.91 RXFP1 (0.43) RXFP1MERTKTYRO3FLT3GAS6
SCHEMBL7516597 0.89 CHUK (0.39) RXFP1MERTKTYRO3FLT3GAS6
SCHEMBL7520049 0.89 ADORA2A (0.43) MERTKTYRO3FLT3GAS6MAPK14

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