SCHEMBL5207312

SCHEMBL5207312

CCc1ccc(Cc2cnc(N)nc2N2CCCC(=O)C2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.39
KCNH2 Q12809 3/20 0.36
HRH4 Q9H3N8 3/20 0.36
HRH3 Q9Y5N1 3/20 0.36
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 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
SCHEMBL5207346 0.88 HSP90AA1 (0.36) DHFRHRH4PDE3BPDE3A
SCHEMBL5209661 0.88 DHFR (0.42) DHFRKCNH2HRH4HRH3PDGFRB
SCHEMBL5203846 0.88 SMN1; SMN2 (0.40) DHFRPDE3BPDE3A
SCHEMBL5202924 0.88 DHFR (0.43) DHFR
SCHEMBL5207721 0.86 TRAP1 (0.36) DHFRHRH4KDR
SCHEMBL7164355 0.84 PDE3B (0.34) PDE3BPDE3A
SCHEMBL5206429 0.84 TRAP1 (0.39) DHFR
SCHEMBL5206648 0.84 DHFR (0.38) DHFR
SCHEMBL5202765 0.81 DHFR (0.38) 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 4 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
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