SCHEMBL7515467

SCHEMBL7515467

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.48
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
DHFR P00374 1/20 0.38
PIM1 P11309 3/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
EGFR P00533 1/20 0.36
TYMS P04818 1/20 0.36
BTK Q06187 2/20 0.35
SYK P43405 2/20 0.34
MELK Q14680 1/20 0.34
CSNK2A1 P68400 1/20 0.34
NR1I2 O75469 1/20 0.33
ALB P02768 1/20 0.33
PDE4D Q08499 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 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
SCHEMBL7515471 1.00 RXFP1 (0.48) RXFP1JAK1TYK2DHFRPIM1
SCHEMBL7520194 0.94 RXFP1 (0.46) RXFP1JAK1TYK2DHFRPIM1
SCHEMBL7520193 0.94 RXFP1 (0.46) RXFP1JAK1TYK2DHFRPIM1
SCHEMBL7520201 0.94 RXFP1 (0.46) RXFP1JAK1TYK2DHFRPIM1
SCHEMBL7512952 0.92 RXFP1 (0.42) RXFP1JAK1TYK2DHFRPIM1
SCHEMBL7512948 0.92 RXFP1 (0.42) RXFP1JAK1TYK2DHFRPIM1
SCHEMBL7510908 0.88 RXFP1 (0.51) RXFP1DHFRHTR1ADRD2DRD4
SCHEMBL7510904 0.88 RXFP1 (0.51) RXFP1DHFRHTR1ADRD2DRD4
SCHEMBL7513913 0.83 RXFP1 (0.49) RXFP1DHFRHTR1ADRD2DRD4
SCHEMBL7513904 0.83 RXFP1 (0.49) RXFP1DHFRHTR1ADRD2DRD4

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