SCHEMBL7512948

SCHEMBL7512948

Nc1ncc(Sc2ccc(Cl)cc2)c(NC2CCC(CO)CC2)n1.Nc1ncc(Sc2ccc(Cl)cc2)c(NC2CCCC(CO)C2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
SYK P43405 2/20 0.36
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
PIM1 P11309 2/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DHFR P00374 1/20 0.33
PTGES O14684 4/20 0.33
EGFR P00533 1/20 0.32
TYMS P04818 1/20 0.32
BTK Q06187 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
MCHR1 Q99705 1/20 0.32
NR1I2 O75469 1/20 0.32
ALB P02768 1/20 0.32
PDE4D Q08499 1/20 0.32
MAPK8 P45983 1/20 0.31

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
SCHEMBL7512952 1.00 RXFP1 (0.42) RXFP1SYKJAK1TYK2PIM1
SCHEMBL7520201 0.94 RXFP1 (0.46) RXFP1SYKJAK1TYK2PIM1
SCHEMBL7520194 0.94 RXFP1 (0.46) RXFP1SYKJAK1TYK2PIM1
SCHEMBL7520193 0.94 RXFP1 (0.46) RXFP1SYKJAK1TYK2PIM1
SCHEMBL7515467 0.92 RXFP1 (0.48) RXFP1SYKJAK1TYK2PIM1
SCHEMBL7515471 0.92 RXFP1 (0.48) RXFP1SYKJAK1TYK2PIM1
SCHEMBL7520093 0.84 MAPK8 (0.46) RXFP1SYKPIM1MAPK8
SCHEMBL7520097 0.84 MAPK8 (0.46) RXFP1SYKPIM1MAPK8
SCHEMBL7510562 0.83 RXFP1 (0.47) RXFP1SYKPIM1DHFRMAPK8
SCHEMBL7515537 0.83 RXFP1 (0.47) RXFP1SYKPIM1DHFRMAPK8

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