SCHEMBL7520201

SCHEMBL7520201

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.46
DHFR P00374 1/20 0.37
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
EGFR P00533 1/20 0.35
TYMS P04818 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
IRAK4 Q9NWZ3 8/20 0.34
SYK P43405 1/20 0.33
PIM1 P11309 2/20 0.33
NR1I2 O75469 1/20 0.32
ALB P02768 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL7520193 1.00 RXFP1 (0.46) RXFP1DHFRJAK1TYK2EGFR
SCHEMBL7520194 1.00 RXFP1 (0.46) RXFP1DHFRJAK1TYK2EGFR
SCHEMBL7512952 0.94 RXFP1 (0.42) RXFP1DHFRJAK1TYK2EGFR
SCHEMBL7512948 0.94 RXFP1 (0.42) RXFP1DHFRJAK1TYK2EGFR
SCHEMBL7515467 0.94 RXFP1 (0.48) RXFP1DHFRJAK1TYK2EGFR
SCHEMBL7515471 0.94 RXFP1 (0.48) RXFP1DHFRJAK1TYK2EGFR
SCHEMBL7513900 0.86 RXFP1 (0.49) RXFP1DHFREGFRTYMSHTR1A
SCHEMBL7513904 0.86 RXFP1 (0.49) RXFP1DHFREGFRTYMSHTR1A
SCHEMBL7513913 0.86 RXFP1 (0.49) RXFP1DHFREGFRTYMSHTR1A
SCHEMBL7510904 0.84 RXFP1 (0.51) RXFP1DHFREGFRTYMSHTR1A

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