SCHEMBL5207346

SCHEMBL5207346

Cc1ccc(Cc2cnc(N)nc2N2CCCC(=O)C2)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
HSP90B1 P14625 1/20 0.36
TRAP1 Q12931 1/20 0.36
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 2/20 0.34
DHFR P00374 4/20 0.34
HRH4 Q9H3N8 2/20 0.33
POLB P06746 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 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
SCHEMBL5207721 0.90 TRAP1 (0.36) HSP90AA1HSP90B1TRAP1DHFRHRH4
SCHEMBL5203846 0.90 SMN1; SMN2 (0.40) FFAR1FFAR4DHFRPDE3BPDE3A
SCHEMBL5207312 0.88 DHFR (0.39) DHFRHRH4PDE3BPDE3A
SCHEMBL5202725 0.88 HSP90AA1 (0.38) HSP90AA1HSP90B1TRAP1DHFRHRH4
SCHEMBL5206429 0.85 TRAP1 (0.39) HSP90AA1HSP90B1TRAP1FFAR1DHFR
SCHEMBL5202765 0.85 DHFR (0.38) DHFR
SCHEMBL7164341 0.84 PDE2A (0.34) PDE3BPDE3A
SCHEMBL5206648 0.81 DHFR (0.38) DHFR
SCHEMBL5202924 0.79 DHFR (0.43) DHFR
SCHEMBL5202556 0.79 DHFR (0.35) DHFR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP claimed
US-6583148-B1 Neurodegenerative or other neurological disorders; enhancing the effect of nerve growth factor; 2-Amino-5-(4-chlorophenoxy)-4-trans-4-hydroxycyclohexylamino) pyrimidine KRENITSKY PHARMACEUTICALS, INC. 2003-06-24 US claimed
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP disclosed
US-6916820-B1 Neurotrophic substituted pyrimidines KRENITSKY PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-6583148-B1 Neurodegenerative or other neurological disorders; enhancing the effect of nerve growth factor; 2-Amino-5-(4-chlorophenoxy)-4-trans-4-hydroxycyclohexylamino) pyrimidine KRENITSKY PHARMACEUTICALS, INC. 2003-06-24 US disclosed