SCHEMBL7515684

SCHEMBL7515684

CCC(CO)Nc1nc(N)ncc1Sc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.53
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TLR8 Q9NR97 7/20 0.40
TLR7 Q9NYK1 3/20 0.40
DYRK3 O43781 3/20 0.39
CCNT1 O60563 3/20 0.39
CDK9 P50750 3/20 0.39
CDK5 Q00535 3/20 0.39
DYRK1A Q13627 3/20 0.39
CDK5R1 Q15078 3/20 0.39
DYRK2 Q92630 3/20 0.39

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
SCHEMBL7515681 1.00 RXFP1 (0.53) RXFP1KDM4EMEN1ALDH1A1POLB
SCHEMBL7512201 0.89 RXFP1 (0.50) RXFP1TLR8TLR7DHFR
SCHEMBL7523775 0.86 RXFP1 (0.55) RXFP1KDM4EALDH1A1MAPTHPGD
SCHEMBL7512211 0.78 RXFP1 (0.51) RXFP1KDM4EALDH1A1MAPTHPGD
SCHEMBL7515653 0.78 RXFP1 (0.62) RXFP1KDM4EMEN1ALDH1A1MAPT
SCHEMBL7521450 0.77 RXFP1 (0.56) RXFP1KDM4EALDH1A1MAPTNPC1
SCHEMBL7512196 0.77 RXFP1 (0.55) RXFP1KDM4EALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL5209419 0.76 KDM4E (0.43) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL7516524 0.76 RXFP1 (0.54) RXFP1KDM4EMEN1ALDH1A1MAPT
SCHEMBL7510622 0.76 RXFP1 (0.54) RXFP1KDM4EMEN1ALDH1A1MAPT

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