SCHEMBL7514879

SCHEMBL7514879

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.49
IDH1 O75874 1/20 0.38
SYK P43405 1/20 0.38
LATS1 O95835 2/20 0.38
LATS2 Q9NRM7 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ILK Q13418 1/20 0.37
DHFR P00374 1/20 0.36
CNR1 P21554 3/20 0.35
IRAK1 P51617 2/20 0.35
EGFR P00533 1/20 0.35
TYMS P04818 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 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
SCHEMBL7514882 1.00 RXFP1 (0.49) RXFP1IDH1SYKLATS1LATS2
SCHEMBL7515124 1.00 RXFP1 (0.49) RXFP1IDH1SYKLATS1LATS2
SCHEMBL7515161 0.98 RXFP1 (0.49) RXFP1IDH1SYKLATS1LATS2
SCHEMBL7515160 0.98 RXFP1 (0.49) RXFP1IDH1SYKLATS1LATS2
SCHEMBL7519308 0.98 RXFP1 (0.49) RXFP1IDH1SYKLATS1LATS2
SCHEMBL7513918 0.91 RXFP1 (0.42) RXFP1IDH1SYKLATS1LATS2
SCHEMBL7573745 0.91 RXFP1 (0.42) RXFP1IDH1SYKLATS1LATS2
SCHEMBL7513915 0.91 RXFP1 (0.42) RXFP1IDH1SYKLATS1LATS2
SCHEMBL7522426 0.91 RXFP1 (0.43) RXFP1SYKKDM4EMEN1NPC1
SCHEMBL7522432 0.91 RXFP1 (0.43) RXFP1SYKKDM4EMEN1NPC1

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 claimed
WO-2000059893-A1 NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-12 WO claimed