SCHEMBL7714733

SCHEMBL7714733

COC(=O)C(=O)N1CCN(c2nc(N)ncc2Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.43
PI4KB Q9UBF8 4/20 0.43
TRPC6 Q9Y210 5/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
TRPA1 O75762 1/20 0.39
KCNH2 Q12809 1/20 0.38
PDGFRA P16234 1/20 0.38
CCNT1 O60563 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
CDK9 P50750 1/20 0.38
FLT3 P36888 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL7708563 0.87 PI4KB (0.46) PDGFRBPI4KBTRPC6TRPA1CCNT1
SCHEMBL7712462 0.85 PI4KB (0.53) PDGFRBPI4KBMAPTLMNAMAPK1
SCHEMBL7714261 0.84 MAPT (0.50) PI4KBTRPA1MAPTLMNAMAPK1
SCHEMBL7711739 0.83 PI4KB (0.48) PDGFRBPI4KBKCNH2CCNT1CCNC
SCHEMBL7714727 0.82 ALDH1A1 (0.51) PI4KBTRPC6LMNA
SCHEMBL7708416 0.81 HRH4 (0.55)
SCHEMBL7712411 0.81 PI4KB (0.48) PI4KBTRPA1MAPTLMNAMAPK1
SCHEMBL7714584 0.81 TRPA1 (0.55) PDGFRBPI4KBTRPC6TRPA1
SCHEMBL7714367 0.81 PI4KB (0.48) PI4KBTRPA1CCNT1CCNCCDK8
SCHEMBL7714374 0.79 PI4KB (0.58) PI4KBMAPTLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6440965-B1 Substituted pyrimidine derivatives, their preparation and their use in the treatment of neurodegenerative or neurological disorders of the central nervous system KRENITSKY PHARMACEUTICALS, INC. 2002-08-27 US claimed
EP-1025091-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM Krenitsky Pharmaceuticals, Inc. (US) 2000-08-09 EP claimed
WO-1999019305-A2 SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM KRENITSKY PHARMACEUTICALS INC. (US) 1999-04-22 WO claimed
US-6440965-B1 Substituted pyrimidine derivatives, their preparation and their use in the treatment of neurodegenerative or neurological disorders of the central nervous system KRENITSKY PHARMACEUTICALS, INC. 2002-08-27 US disclosed
EP-1025091-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM Krenitsky Pharmaceuticals, Inc. (US) 2000-08-09 EP disclosed
WO-1999019305-A2 SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM KRENITSKY PHARMACEUTICALS INC. (US) 1999-04-22 WO disclosed