SCHEMBL5202998

SCHEMBL5202998

Nc1ncc(Oc2ccc(Cl)cc2)c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.57
CDK8 P49336 5/20 0.43
PIM1 P11309 1/20 0.43
MAP2K2 P36507 1/20 0.43
MAP4K2 Q12851 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CCNC P24863 4/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL5207820 0.86 MAPT (0.43) LTA4HPIM1MAP4K2MAPTMAOA
SCHEMBL7712501 0.84 XDH (0.45) LTA4HKMT2AMAPTKDM4EALDH1A1
SCHEMBL5202653 0.84 TEAD4 (0.42) LTA4HCDK8MEN1KMT2AMAPT
SCHEMBL7712456 0.84 MEN1 (0.44) LTA4HMEN1KMT2AMAPTKDM4E
SCHEMBL5206240 0.84 NOS1 (0.45) LTA4HKDM4CXDHRECQL
SCHEMBL7714536 0.84 NPBWR1 (0.41) LTA4HKDM4C
SCHEMBL7708592 0.82 RHEB (0.42) LTA4HCDK8MEN1KMT2ACYP1A2
SCHEMBL5207646 0.81 KDM4C (0.41) LTA4HCDK8PIM1MAP2K2MAP4K2
SCHEMBL5204052 0.81 SMN1; SMN2 (0.42) LTA4HMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5204487 0.81 SOS1 (0.40) LTA4HKMT2AHPGDSCN9A

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 8 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 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
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-1165523-A1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES Krenitsky Pharmaceuticals, Inc. (US) 2002-01-02 EP disclosed
WO-2000061562-A1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-19 WO 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