SCHEMBL5280720

SCHEMBL5280720

CCOC(=O)Oc1cnc(-c2ccc(F)c(OC)c2)nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GRK6 P43250 1/20 0.38
CYP1A2 P05177 4/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
POLQ O75417 1/20 0.38
POLB P06746 2/20 0.37
PTGS2 P35354 2/20 0.37
CNR2 P34972 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL5281477 0.88 PDGFRB (0.43) PDGFRBPDGFRAHTTHPGDMEN1
SCHEMBL5278083 0.87 ALDH1A1 (0.39) PDGFRBPDGFRANPC1ATMALDH1A1
SCHEMBL5126198 0.86 ALDH1A1 (0.54) PDGFRBPDGFRAHTTHPGDMEN1
SCHEMBL5287033 0.85 LMNA (0.45) PDGFRBPDGFRAHTTMEN1KMT2A
SCHEMBL5292147 0.83 CYP11B2 (0.41) HPGDMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5283181 0.83 ALDH1A1 (0.39) L3MBTL1NPC1ATMALDH1A1KDM4E
SCHEMBL5281269 0.83 ALDH1A1 (0.41) PDGFRBPDGFRAHTTL3MBTL1NPC1
SCHEMBL5278782 0.82 CYP1A2 (0.42) PDGFRBPDGFRAHTTL3MBTL1NPC1
SCHEMBL5279567 0.79 ALDH1A1 (0.56) MEN1KMT2AL3MBTL1NPC1ATM
SCHEMBL5119482 0.78 PDGFRB (0.48) PDGFRBPDGFRAHTTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866289-A1 PYRIMIDINE CARBOXYLIC ACID DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2007-12-19 EP disclosed
WO-2006097220-A1 PYRIMIDINE CARBOXYLIC ACID DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-09-21 WO disclosed